mp_ID stringlengths 8 14 | x float64 -9.59 15.2 | y float64 -10.97 15.1 | z float64 -7.56 7.54 | type stringclasses 1
value | generated_from stringlengths 4 10 | formula stringlengths 2 24 | n_atoms int64 2 20 | spacegroup int64 1 229 | volume float64 28.2 1.03k | structure dict |
|---|---|---|---|---|---|---|---|---|---|---|
gen-mp-494 | -6.086354 | -0.81953 | 3.312552 | generated | mp-494 | Mo8Ge2 | 10 | 1 | 156.06 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.4775061607,
-0.0067983223,
0.0164906103
],
[
-0.0067203259,
5.1680622101,
-0.6588001847
],
[
0.0164230671,
-0... |
gen-mp-730 | -3.22403 | -3.625681 | 0.783211 | generated | mp-730 | P3 | 3 | 5 | 45.68 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.3822665215,
-0.8991336226,
-0.0196252782
],
[
-0.8991280794,
3.3527562618,
-0.0047584195
],
[
-0.0198540427,
... |
gen-mp-377 | -8.676116 | -3.084572 | 4.192231 | generated | mp-377 | Rh5Lu3 | 8 | 1 | 139.35 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.5587353706,
-0.0056477808,
0.0160286017
],
[
-0.0056782658,
5.5707130432,
-0.7717272639
],
[
0.0159760807,
-0... |
gen-mp-601 | -3.929831 | -4.070513 | 0.83538 | generated | mp-601 | P2Pr2 | 4 | 99 | 105.38 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.195043087,
0.0087109199,
-0.0133657577
],
[
0.0087143956,
4.2147569656,
-0.0126107652
],
[
-0.0133680822,
-0.... |
gen-mp-74 | -7.684502 | -1.867924 | 3.499575 | generated | mp-74 | Rh3Tc1 | 4 | 5 | 58.34 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.861289978,
-0.0044444562,
0.0076000299
],
[
-0.0043525943,
3.8874025345,
0.0149782449
],
[
0.0075546838,
0.01... |
gen-mp-992 | -6.874908 | -5.720677 | 4.576331 | generated | mp-992 | Ca1Ga8Th1He1 | 11 | 1 | 223.41 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.4289264679,
-0.1198522821,
-0.8083795905
],
[
-0.1199857295,
6.6752710342,
-1.5728595257
],
[
-0.8083888888,
... |
gen-mp-550 | -5.62186 | -3.956639 | 5.522593 | generated | mp-550 | Al10Tl2 | 12 | 1 | 190.34 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.3122882843,
-0.8858981133,
-0.026899932
],
[
-0.8859018683,
6.6298780441,
-0.3162830174
],
[
-0.0269846227,
-... |
gen-mp-485 | -8.974279 | -1.85494 | 2.855336 | generated | mp-485 | Ni8Zr1Th1Pm1 | 11 | 6 | 181.35 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.9023826122,
-0.0033201997,
0.002765751
],
[
-0.0033896607,
3.8803911209,
-0.0211428553
],
[
0.0026871846,
-0.... |
gen-mp-919 | -5.822279 | -3.790936 | -1.574078 | generated | mp-919 | Ho4Te6 | 10 | 8 | 333.08 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.2054986954,
-1.1237075329,
0.0232551247
],
[
-1.1238793135,
4.20190382,
0.0087235998
],
[
0.0232240632,
0.008... |
gen-mp-429 | -9.139725 | -3.212035 | 2.932918 | generated | mp-429 | Zn6Ni3 | 9 | 6 | 114.43 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
2.6363432407,
-0.0214667134,
-0.0289889909
],
[
-0.0214473978,
6.8466844559,
-1.843097806
],
[
-0.0288794693,
-... |
gen-mp-669 | -5.760455 | -6.068305 | 5.060333 | generated | mp-669 | Th6 | 6 | 1 | 279.77 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
5.7923617363,
0.0245664213,
-0.0075374278
],
[
0.0245108269,
5.750869751,
-1.2284129858
],
[
-0.0076960246,
-1.... |
gen-mp-846 | -6.318363 | -4.34491 | 4.907758 | generated | mp-846 | Hf1Pu1Al5Np1 | 8 | 6 | 163.3 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.6137218475,
-0.0111633874,
0.0045658434
],
[
-0.0111902393,
6.2746748924,
-1.711348176
],
[
0.0045985663,
-1.... |
gen-mp-295 | -5.47232 | -4.213353 | 0.905404 | generated | mp-295 | Ho6Pr2H1As7 | 16 | 6 | 405.68 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.0126867294,
-0.0145812547,
-0.0261185784
],
[
-0.0144913802,
4.0931463242,
0.1222948804
],
[
-0.0263002235,
0... |
gen-mp-36 | -6.372211 | -5.792784 | 5.516525 | generated | mp-36 | Sc13Ac1Th3U1Pa2 | 20 | 6 | 522.21 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.2468459606,
-0.0071301218,
0.0156229306
],
[
-0.0071409075,
12.1658420563,
-0.7172440886
],
[
0.0155694485,
-... |
gen-mp-75 | -5.574728 | -2.735998 | 3.568094 | generated | mp-75 | Nb18 | 18 | 1 | 334.49 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
2.8338041306,
-0.4881469905,
0.0697382763
],
[
-0.4880438149,
2.7318098545,
0.0242933761
],
[
0.0698044673,
0.0... |
gen-mp-549 | -5.483101 | -4.345072 | 1.082258 | generated | mp-549 | U2Sb5Sc3 | 10 | 107 | 332.27 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.5643382072,
-0.0350455008,
-0.5180904269
],
[
-0.0351670049,
4.5623736382,
-0.5069522858
],
[
-0.5181894898,
... |
gen-mp-7 | -2.9764 | -0.550633 | -4.414833 | generated | mp-7 | S6 | 6 | 1 | 154.17 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.7905611992,
-1.5616389513,
-0.4601679146
],
[
-1.5615572929,
6.9613032341,
-0.5284814239
],
[
-0.460251838,
-... |
gen-mp-26 | -6.5675 | -6.940984 | 6.170032 | generated | mp-26 | La6Ac5Zn1 | 12 | 6 | 457.01 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.8096196651,
0.0035697743,
0.008856683
],
[
0.0036074463,
6.4298868179,
-0.641552031
],
[
0.0088794036,
-0.641... |
gen-mp-350 | -5.36705 | -2.86211 | -0.669899 | generated | mp-350 | Zr2Te4U1 | 7 | 1 | 210.92 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.9514176846,
-0.0108140204,
0.007013808
],
[
-0.0107990922,
7.3644633293,
-0.9352830648
],
[
0.0068623815,
-0.... |
gen-mp-930 | -5.059286 | -3.019613 | 2.088912 | generated | mp-930 | P5Zr4H1Pa1 | 11 | 1 | 227.77 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.8727207184,
0.7189109921,
0.5850092173
],
[
0.7188224196,
6.8369774818,
0.9054943919
],
[
0.5849452615,
0.905... |
gen-mp-201 | -5.560086 | -5.922612 | 2.022929 | generated | mp-201 | Yb11Sb5U4 | 20 | 1 | 593.57 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
8.3412485123,
-1.9933255911,
-1.3309824467
],
[
-1.9933422804,
8.5303735733,
-1.6228312254
],
[
-1.3309662342,
... |
gen-mp-127 | -5.026818 | -7.393053 | 2.997471 | generated | mp-127 | Na5 | 5 | 156 | 177.29 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.6010932922,
-0.9737976193,
0.0002718484
],
[
-0.9737549424,
3.5887176991,
-0.003566138
],
[
0.0002751043,
-0.... |
gen-mp-413 | -5.537477 | -4.202236 | 3.061549 | generated | mp-413 | U6P2 | 8 | 6 | 192.46 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.1627864838,
-0.0034926697,
-0.0092346482
],
[
-0.0035090433,
4.164247036,
0.0068651834
],
[
-0.0092095546,
0.... |
gen-mp-672 | -4.205935 | -1.490493 | -5.654442 | generated | mp-672 | S9Cd9 | 18 | 8 | 470.28 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.0644621849,
-1.0686050653,
0.0144540016
],
[
-1.0686284304,
4.0363788605,
-0.0065705329
],
[
0.0144985598,
-0... |
gen-mp-443 | -8.572044 | -6.36415 | 2.410486 | generated | mp-443 | Ca2Au6 | 8 | 6 | 178.23 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.879234314,
0.0074125803,
-0.0108179776
],
[
0.0073535866,
6.2861504555,
-1.6833726168
],
[
-0.0108136525,
-1.... |
gen-mp-721 | -6.847657 | -7.478444 | 5.370038 | generated | mp-721 | Tb2Ac3Cd3 | 8 | 1 | 266.08 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
5.6922049522,
0.0197772421,
-0.0142549332
],
[
0.0198949836,
6.9715733528,
-1.3274117708
],
[
-0.0142647689,
-1... |
gen-mp-69 | -7.043023 | -7.027163 | 7.40692 | generated | mp-69 | Sm3Pm1 | 4 | 8 | 137.69 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
5.0450234413,
-0.1520302892,
-1.2347041368
],
[
-0.1520328373,
5.018157959,
-1.2360445261
],
[
-1.234697938,
-1... |
gen-mp-416 | -6.183644 | -0.787937 | 3.878328 | generated | mp-416 | Cr4Tc3 | 7 | 5 | 94.05 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.1073002815,
-0.9866454005,
0.0150799118
],
[
-0.9866250157,
4.8476610184,
0.1799384654
],
[
0.0150558241,
0.1... |
gen-mp-135 | -6.244328 | -6.567536 | 3.623896 | generated | mp-135 | Li3Tc1 | 4 | 8 | 67.81 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
2.7038300037,
-0.7301963568,
-0.0149176028
],
[
-0.7302107215,
2.7332236767,
-0.0091653233
],
[
-0.0149309942,
... |
gen-mp-103 | -5.728818 | -4.052091 | 4.170062 | generated | mp-103 | Hf7U1 | 8 | 38 | 190.09 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
5.1344804764,
-0.0130190952,
0.00657062
],
[
-0.0129552465,
6.3047647476,
-1.6811178923
],
[
0.0066261529,
-1.6... |
gen-mp-793 | -4.611636 | -7.589611 | 3.28403 | generated | mp-793 | Ca2He2 | 4 | 12 | 98.56 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.3463625908,
-0.1141062155,
-0.9764342904
],
[
-0.1140850782,
4.3524851799,
-1.0059072971
],
[
-0.976477325,
-... |
gen-mp-801 | -6.21768 | -0.963635 | 3.692545 | generated | mp-801 | Mo7Tc2Os1 | 10 | 156 | 165 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.1596984863,
-1.1403377056,
-0.0012955817
],
[
-1.1404608488,
4.1729927063,
-0.0043527293
],
[
-0.0013213685,
... |
gen-mp-987 | -9.586289 | -4.539169 | 3.715687 | generated | mp-987 | Cu3Zn1 | 4 | 6 | 48.57 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
2.5990874767,
0.0069763651,
-0.0015417059
],
[
0.0069875782,
4.2094449997,
-0.003811358
],
[
-0.0016112285,
-0.... |
gen-mp-513 | -6.586164 | -4.82844 | 5.098073 | generated | mp-513 | Ge7Th1Er1B1Pm1 | 11 | 38 | 249.85 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.1894273758,
0.0076914299,
0.0117385443
],
[
0.0078861611,
4.305308342,
0.5076582432
],
[
0.0117669599,
0.5076... |
gen-mp-739 | -5.435006 | -2.487515 | 3.602684 | generated | mp-739 | Ti3P1 | 4 | 156 | 66.99 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.0184357166,
-0.8119374514,
-0.008240886
],
[
-0.8119875789,
3.0086004734,
-0.009859371
],
[
-0.0082456041,
-0... |
gen-mp-921 | -8.69246 | -2.723029 | 4.046317 | generated | mp-921 | Y2Rh4 | 6 | 8 | 107.4 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
5.0224094391,
1.253513813,
1.2665172815
],
[
1.2536115646,
5.0469121933,
1.257805109
],
[
1.2665286064,
1.25777... |
gen-mp-364 | -8.107056 | -2.268521 | 3.81907 | generated | mp-364 | Rh6Al6 | 12 | 1 | 164.66 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.2706165314,
-0.0031600869,
0.0076632276
],
[
-0.0031886143,
5.2037267685,
-0.0004050648
],
[
0.007693015,
-0.... |
gen-mp-926 | -5.762104 | -4.353982 | 3.519456 | generated | mp-926 | Pu6 | 6 | 2 | 116.68 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.6623988152,
1.1558730602,
-0.0005732193
],
[
1.1558635235,
4.8022260666,
0.01362269
],
[
-0.000607823,
0.0136... |
gen-mp-157 | -3.319058 | -3.866544 | 0.527729 | generated | mp-157 | P6 | 6 | 6 | 147.2 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.1496231556,
0.0080694025,
0.0153886862
],
[
0.0080597019,
5.3626475334,
0.8303644061
],
[
0.0153510459,
0.830... |
gen-mp-124 | -8.034971 | -6.739417 | 2.860464 | generated | mp-124 | Pa2Ag10 | 12 | 1 | 267.28 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.9607229233,
0.0039495705,
0.0101593472
],
[
0.0039939163,
5.252676487,
-0.2374471277
],
[
0.0100912927,
-0.23... |
gen-mp-943 | -3.758874 | 0.348029 | -3.602648 | generated | mp-943 | S2Tc2 | 4 | 99 | 86.3 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.9073114395,
-0.0118965078,
0.0377827398
],
[
-0.0118847899,
3.8943133354,
-0.0127744246
],
[
0.0377143696,
-0... |
gen-mp-917 | -4.889958 | -5.359533 | 2.826547 | generated | mp-917 | Ca3C6Np1 | 10 | 1 | 197.35 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.8849081993,
-0.0038904836,
0.0126564717
],
[
-0.0039625866,
3.8835439682,
0.0206918325
],
[
0.01265149,
0.020... |
gen-mp-959 | -5.777171 | -6.818374 | 4.95346 | generated | mp-959 | Th3Al5Pm1Li2Mg1 | 12 | 1 | 381.79 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
6.2957715988,
1.6004112959,
1.1460124254
],
[
1.6004303694,
6.3750271797,
1.115967989
],
[
1.1460584402,
1.1160... |
gen-mp-450 | -4.658507 | -0.241712 | 3.129485 | generated | mp-450 | Nb2B2 | 4 | 8 | 48.16 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.2709918022,
-0.9014126658,
-0.0072117192
],
[
-0.9013946652,
3.2632653713,
-0.0071413666
],
[
-0.0071941824,
... |
gen-mp-674 | -8.636279 | -4.554406 | 2.49463 | generated | mp-674 | Pd6La2 | 8 | 8 | 156.7 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
5.6863737106,
1.3978053331,
1.4463329315
],
[
1.3978215456,
5.7228832245,
1.4372637272
],
[
1.446300745,
1.4373... |
gen-mp-348 | -9.008256 | -5.853488 | 4.846422 | generated | mp-348 | Pd2Tm2 | 4 | 38 | 83.95 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.6361637115,
1.1562064886,
1.1683614254
],
[
1.156142354,
4.6309585571,
1.1613283157
],
[
1.1683244705,
1.1614... |
gen-mp-597 | -6.595155 | -2.700284 | 3.730109 | generated | mp-597 | Ti6Ni4 | 10 | 99 | 142.76 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.0101027489,
0.0063374764,
-0.0016733515
],
[
0.0062892376,
3.020740509,
0.0067126104
],
[
-0.0017802583,
0.00... |
gen-mp-9 | -6.622608 | -6.958931 | 7.087312 | generated | mp-9 | Pm4Th2Y4 | 10 | 8 | 346 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
5.0657482147,
1.1907098293,
-0.0032563107
],
[
1.1906816959,
6.232542038,
-0.014978664
],
[
-0.0032616341,
-0.0... |
gen-mp-242 | -3.251275 | -2.470039 | 3.3822 | generated | mp-242 | He2B3 | 5 | 8 | 55.09 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
2.9695725441,
0.5503274798,
0.5449706316
],
[
0.5503092408,
4.4972791672,
1.0827288628
],
[
0.5449284315,
1.082... |
gen-mp-663 | -6.759664 | -4.945216 | 5.879678 | generated | mp-663 | Nd4Ge2 | 6 | 8 | 170.21 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.4252653122,
-0.0488364212,
-0.7694762945
],
[
-0.0488949232,
4.429813385,
-0.7710322738
],
[
-0.7694522738,
-... |
gen-mp-840 | -6.987949 | -5.769046 | 6.077316 | generated | mp-840 | Sm7Rh12 | 19 | 1 | 346.53 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
5.2330861092,
1.3645819426,
0.7401154637
],
[
1.3645786047,
5.2669253349,
0.718957901
],
[
0.7401078343,
0.7188... |
gen-mp-102 | -8.150648 | -0.858724 | 4.602145 | generated | mp-102 | U2Co12V1 | 15 | 8 | 187.7 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.99127388,
-1.3277652264,
0.0068356749
],
[
-1.3277602196,
5.0033564568,
0.0082494589
],
[
0.0068269293,
0.008... |
gen-mp-747 | -8.118012 | -3.715132 | 2.897758 | generated | mp-747 | Pt3Ba1 | 4 | 6 | 110.42 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.7324142456,
-0.0061897915,
-0.0068923607
],
[
-0.0061915647,
4.5642194748,
0.004286523
],
[
-0.0068646735,
0.... |
gen-mp-740 | -5.825982 | -3.678056 | -1.572562 | generated | mp-740 | Te11Nd4H1 | 16 | 8 | 609.57 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.7241311073,
1.2591724396,
0.1899062395
],
[
1.2592047453,
4.7670578957,
0.1920392811
],
[
0.1898230612,
0.191... |
gen-mp-174 | -5.603201 | -6.876934 | 1.534212 | generated | mp-174 | Tl8Te2 | 10 | 1 | 366.83 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.3997130394,
-0.0028032847,
-0.0040160646
],
[
-0.0028266299,
5.4640331268,
0.0057423166
],
[
-0.0039573684,
0... |
gen-mp-506 | -8.413334 | -5.19659 | 3.279834 | generated | mp-506 | Mg3Pm1Pd3 | 7 | 1 | 136.2 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.4020266533,
-1.2075761557,
-0.081295602
],
[
-1.2075849771,
4.3121070862,
-0.8549899459
],
[
-0.0812870264,
-... |
gen-mp-257 | -8.073294 | -6.382204 | 5.520157 | generated | mp-257 | Dy4In6 | 10 | 1 | 268.21 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.7433547974,
0.0140587073,
-0.0154542429
],
[
0.014091175,
7.5360336304,
0.0124474214
],
[
-0.0154655296,
0.01... |
gen-mp-973 | 1.484846 | 1.41731 | 2.631818 | generated | mp-973 | N8U6 | 14 | 156 | 227.54 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.8017528057,
1.0194240808,
0.0117766205
],
[
1.0194584131,
3.8185186386,
-0.0014878346
],
[
0.0117048016,
-0.0... |
gen-mp-546 | -8.558216 | -3.927644 | 4.933986 | generated | mp-546 | Ho3Rh7 | 10 | 8 | 204.84 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
6.247484684,
1.5923202038,
1.5750252008
],
[
1.5923495293,
6.2614040375,
1.5666434765
],
[
1.5750337839,
1.5665... |
gen-mp-400 | -6.351737 | -6.090611 | 5.660547 | generated | mp-400 | Th2Al4Nd2 | 8 | 1 | 274.56 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
5.5817232132,
0.0039154785,
0.0059478711
],
[
0.0039114868,
6.9406142235,
-0.3581777811
],
[
0.006008816,
-0.35... |
gen-mp-555 | -7.532334 | 0.531646 | 3.982838 | generated | mp-555 | Fe5 | 5 | 8 | 54.6 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
2.834461689,
-0.0505034402,
-0.4268687069
],
[
-0.0505436584,
2.8310689926,
-0.4302020967
],
[
-0.4268624783,
-... |
gen-mp-417 | -8.278832 | -2.484858 | 3.784296 | generated | mp-417 | Np2Mn3Rh13Tc2 | 20 | 1 | 336.68 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
7.1775479317,
0.3452871144,
0.3625469208
],
[
0.3452852666,
6.8719639778,
0.5884822607
],
[
0.362500608,
0.5884... |
gen-mp-361 | 7.49693 | 10.596862 | -0.845148 | generated | mp-361 | O2Cu3 | 5 | 1 | 63.71 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.7085037231,
-0.0006659883,
-0.015356211
],
[
-0.000639623,
3.6245410442,
1.7590174675
],
[
-0.0153959915,
1.7... |
gen-mp-797 | -8.502615 | -4.342775 | 2.499619 | generated | mp-797 | Dy3Pd9 | 12 | 6 | 211.27 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.1442260742,
-0.0017317033,
-0.0120791979
],
[
-0.0017095269,
4.1244258881,
0.015207707
],
[
-0.0119772749,
0.... |
gen-mp-392 | -5.365009 | -3.990491 | 0.980406 | generated | mp-392 | U3Sb3 | 6 | 6 | 208.97 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.5915441513,
-0.0107415188,
0.0060227574
],
[
-0.0107432343,
4.7992024422,
-0.8359456062
],
[
0.0060330168,
-0... |
gen-mp-151 | -5.650972 | -6.952109 | 2.852047 | generated | mp-151 | Pa1Tl4 | 5 | 156 | 182.63 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.7033755779,
-0.9987489581,
-0.0054068649
],
[
-0.9986205697,
3.6839613914,
0.0132501516
],
[
-0.0054045068,
0... |
gen-mp-702 | -6.868234 | -6.462553 | 5.014339 | generated | mp-702 | Ce2Hg1 | 3 | 44 | 97.89 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.884305954,
1.2405613661,
1.2253600359
],
[
1.2406110764,
4.9020595551,
1.2349337339
],
[
1.2254168987,
1.2349... |
gen-mp-336 | -7.722517 | -5.776383 | 6.560026 | generated | mp-336 | Co2Pm1Sm1 | 4 | 8 | 70.67 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.8982143402,
0.9897665381,
0.8272651434
],
[
0.9897415042,
3.8836884499,
0.8307520151
],
[
0.8272315264,
0.830... |
gen-mp-238 | -7.819863 | -2.582996 | 2.895058 | generated | mp-238 | Mn7Pd5 | 12 | 8 | 180.31 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.2366786003,
-1.1297671795,
0.0025589443
],
[
-1.1298148632,
4.2386846542,
0.0025456736
],
[
0.002665071,
0.00... |
gen-mp-178 | -3.815078 | -6.838321 | 2.497357 | generated | mp-178 | Th12 | 12 | 1 | 724.96 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
6.6443095207,
0.2067703307,
-0.9291713834
],
[
0.2067440599,
6.8360643387,
-1.5562603474
],
[
-0.9293814301,
-1... |
gen-mp-574 | -5.426101 | -2.970518 | 3.530076 | generated | mp-574 | Ta6U1Co1 | 8 | 1 | 142.58 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.6489677429,
-0.0110863019,
-0.0067558754
],
[
-0.0110676773,
5.6314697266,
-0.8939558268
],
[
-0.0066676624,
... |
gen-mp-872 | -5.071176 | -7.063077 | 3.193615 | generated | mp-872 | Ba15Sn5 | 20 | 6 | 965.58 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
5.985786438,
-0.0032602311,
0.0054862574
],
[
-0.0033579045,
5.9900159836,
0.0010946533
],
[
0.0055500837,
0.00... |
gen-mp-618 | -6.258115 | -3.453735 | -0.272642 | generated | mp-618 | Pd12Se4 | 16 | 1 | 251.6 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
6.0249695778,
0.0145910913,
-0.0108232331
],
[
0.0146481572,
5.4923987389,
-0.0038900571
],
[
-0.0108743701,
-0... |
gen-mp-949 | -7.883984 | -1.909422 | 2.989923 | generated | mp-949 | Co1Pt2 | 3 | 164 | 40.83 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
2.638666153,
-0.7114776373,
-0.0106901573
],
[
-0.7114292979,
2.6172363758,
0.0007919756
],
[
-0.0106267743,
0.... |
gen-mp-909 | -4.251846 | -2.521994 | -3.486759 | generated | mp-909 | Se5As4 | 9 | 1 | 271.91 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
5.5952506065,
1.3160051107,
1.1636197567
],
[
1.3160258532,
6.4490776062,
-0.9684228897
],
[
1.163618207,
-0.96... |
gen-mp-160 | -3.733643 | 1.731474 | 2.896781 | generated | mp-160 | Pa2B6 | 8 | 6 | 91.65 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.0880105495,
-0.0174951945,
-0.0061855991
],
[
-0.0175097883,
5.0971779823,
-0.0193050168
],
[
-0.0061978884,
... |
gen-mp-493 | -6.85476 | 0.443581 | 3.692773 | generated | mp-493 | Tc3B4Co6 | 13 | 6 | 129.83 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.2936244011,
0.0155311385,
0.0109951366
],
[
0.0157194398,
3.4343664646,
-0.0058635585
],
[
0.011008298,
-0.00... |
gen-mp-357 | -8.37491 | -4.411984 | 2.296983 | generated | mp-357 | Pd6Sm1 | 7 | 6 | 133.55 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.3285250664,
-0.0027814293,
0.0181445498
],
[
-0.0027633959,
4.3279414177,
-0.0122001711
],
[
0.0180947762,
-0... |
gen-mp-714 | -6.631965 | -6.453254 | 2.71582 | generated | mp-714 | Sr2Sn5 | 7 | 38 | 224.3 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.6390299797,
-0.0005420758,
-0.0161068793
],
[
-0.0005111503,
4.6783704758,
-0.0103983954
],
[
-0.0160786342,
... |
gen-mp-156 | -6.359331 | -7.63425 | 6.278217 | generated | mp-156 | Ac8La6 | 14 | 1 | 622.56 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
6.4210729599,
0.0091142878,
-0.0070463647
],
[
0.009027306,
10.174654007,
-2.7558600903
],
[
-0.0071180169,
-2.... |
gen-mp-776 | -7.745307 | -6.78738 | 5.10099 | generated | mp-776 | La2Cd2 | 4 | 160 | 121.78 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
5.2288451195,
1.3374556303,
1.3289399147
],
[
1.337569356,
5.2683324814,
1.3180309534
],
[
1.3290109634,
1.3180... |
gen-mp-684 | -3.182054 | -2.15128 | -5.303205 | generated | mp-684 | Ba2S2 | 4 | 8 | 135.03 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.3582091331,
1.1228979826,
0.7745941281
],
[
1.1227636337,
4.3619179726,
0.7865239382
],
[
0.7745052576,
0.786... |
gen-mp-142 | -6.176153 | -5.669487 | 3.577837 | generated | mp-142 | Ga20 | 20 | 1 | 380.86 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
7.9291338921,
1.4987603426,
1.7263771296
],
[
1.4987515211,
6.8887915611,
1.2886756659
],
[
1.726342082,
1.2885... |
gen-mp-237 | -5.700116 | -3.834807 | -1.420943 | generated | mp-237 | Te7Tm5 | 12 | 8 | 374.74 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.1519427299,
1.1156523228,
0.3104700148
],
[
1.1156532764,
4.1388583183,
0.3142312467
],
[
0.3103159666,
0.314... |
gen-mp-13 | -7.48597 | 0.557328 | 3.990361 | generated | mp-13 | Fe5 | 5 | 229 | 53.24 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
2.3765876293,
-0.4368584156,
-0.1388321221
],
[
-0.4368252754,
2.3776488304,
-0.1743567139
],
[
-0.1387751251,
... |
gen-mp-458 | 11.068544 | 11.13745 | 2.204898 | generated | mp-458 | O6Ti2U1 | 9 | 6 | 117.34 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.8096299171,
-0.0130981412,
-0.0037659921
],
[
-0.0130725373,
3.8560183048,
0.0071951263
],
[
-0.0037996944,
0... |
gen-mp-995 | -8.302445 | -2.095224 | 3.836725 | generated | mp-995 | Eu1Ir7 | 8 | 8 | 123.83 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
5.2814741135,
1.3138707876,
1.3139214516
],
[
1.3138104677,
5.2657852173,
1.3073457479
],
[
1.3138170242,
1.307... |
gen-mp-387 | -5.452602 | -4.622523 | 1.179504 | generated | mp-387 | Ce6Sb6Th4 | 16 | 1 | 473.24 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
7.7880477905,
-0.1844511926,
-2.1613190174
],
[
-0.1844675392,
7.8024396896,
-1.6665254831
],
[
-2.1613235474,
... |
gen-mp-951 | -8.639964 | -2.820179 | 3.999634 | generated | mp-951 | Ce1Rh3 | 4 | 107 | 67.37 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.3009872437,
1.0729415417,
1.0824873447
],
[
1.0729538202,
4.311770916,
1.0716148615
],
[
1.0824863911,
1.0715... |
gen-mp-760 | -5.779293 | -2.028838 | -2.936127 | generated | mp-760 | Fe2Se2 | 4 | 8 | 69.7 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.3388278484,
0.0028776913,
0.0038014352
],
[
0.0028611547,
3.3298931122,
-0.0013318977
],
[
0.0037351651,
-0.0... |
gen-mp-863 | -6.406652 | -3.083346 | 3.926071 | generated | mp-863 | Pu2Tc2 | 4 | 8 | 66.85 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.3077101707,
1.0594706535,
1.0829104185
],
[
1.0594769716,
4.2956991196,
1.0843126774
],
[
1.0830751657,
1.084... |
gen-mp-110 | -7.761264 | -10.020648 | 6.629407 | generated | mp-110 | Mg7Pa1 | 8 | 1 | 202.67 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
5.2230277061,
0.024414476,
0.0048364932
],
[
0.0243438277,
6.4696712494,
-1.7411956787
],
[
0.0048548384,
-1.74... |
gen-mp-602 | -9.269206 | 1.921319 | -3.014647 | generated | mp-602 | Te7Mo5 | 12 | 1 | 399.38 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.3086993694,
-0.8959225416,
0.0318192169
],
[
-0.8959223032,
3.3353199959,
-0.0028078542
],
[
0.0315728411,
-0... |
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