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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-id&page=1579",
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"results": [
{
"id": "jvasp-53457",
"created_at": "2022-09-04T14:38:30.493022Z",
"updated_at": "2022-09-04T14:38:30.493039Z",
"structure_string": "Pr4 Pb2 Se8\n1.0\n7.415178 -0.002867 -2.619906\n-3.710073 6.420299 -2.619906\n0.001656 0.002867 7.864400\nPr Pb Se\n4 2 8\ndirect\n0.117052 0.750000 0.867051 Pr\n0.250001 0.617051 0.367051 Pr\n0.382950 0.250000 0.632949 Pr\n0.750001 0.882949 0.132948 Pr\n0.625000 0.375000 0.250000 Pb\n0.875001 0.125000 0.750000 Pb\n0.007168 0.855085 0.498563 Se\n0.008605 0.356521 0.501437 Se\n0.491396 0.992832 0.347916 Se\n0.144916 0.143479 0.152083 Se\n0.355085 0.507168 0.998563 Se\n0.643480 0.644916 0.652083 Se\n0.492834 0.991396 0.847916 Se\n0.856521 0.508604 0.001436 Se\n",
"nsites": 14,
"nelements": 3,
"elements": [
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"Pb",
"Se"
],
"chemical_system": "Pb-Pr-Se",
"density": 7.138751254192067,
"density_atomic": 0.037389820807242555,
"volume": 374.43346070511643,
"volume_molar": 16.106364325858145,
"formula_full": "Pr4 Pb2 Se8",
"formula_reduced": "Pr2PbSe4",
"formula_anonymous": "AB2C4",
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"spacegroup": 122
},
{
"id": "jvasp-53455",
"created_at": "2022-09-04T14:38:29.870913Z",
"updated_at": "2022-09-04T14:38:29.870936Z",
"structure_string": "Yb12 Dy4 Sb12\n1.0\n9.320509 -0.000000 0.000000\n0.000000 9.320509 0.000000\n-0.000000 0.000000 9.320509\nYb Dy Sb\n12 4 12\ndirect\n0.822808 0.677192 0.322808 Yb\n0.430961 0.430961 0.430961 Yb\n0.172902 0.827098 0.327098 Yb\n0.322808 0.822808 0.677192 Yb\n0.672902 0.672902 0.672902 Yb\n0.327098 0.172902 0.827098 Yb\n0.930961 0.069039 0.569039 Yb\n0.677192 0.322808 0.822808 Yb\n0.827098 0.327098 0.172902 Yb\n0.177192 0.177192 0.177192 Yb\n0.569039 0.930961 0.069039 Yb\n0.069039 0.569039 0.930961 Yb\n0.428411 0.571589 0.071589 Dy\n0.928411 0.928411 0.928411 Dy\n0.571589 0.071589 0.428411 Dy\n0.071589 0.428411 0.571589 Dy\n0.870224 0.001031 0.245446 Sb\n0.498969 0.754554 0.370224 Sb\n0.254554 0.129776 0.501031 Sb\n0.629776 0.998969 0.745446 Sb\n0.998969 0.745446 0.629776 Sb\n0.754554 0.370224 0.498969 Sb\n0.370224 0.498969 0.754554 Sb\n0.001031 0.245446 0.870224 Sb\n0.745446 0.629776 0.998969 Sb\n0.129776 0.501031 0.254554 Sb\n0.501031 0.254554 0.129776 Sb\n0.245446 0.870224 0.001031 Sb\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Yb",
"Dy",
"Sb"
],
"chemical_system": "Dy-Sb-Yb",
"density": 8.58806649006592,
"density_atomic": 0.03458112684506854,
"volume": 809.6902141288365,
"volume_molar": 17.41453014813712,
"formula_full": "Yb12 Dy4 Sb12",
"formula_reduced": "Yb3DySb3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 0.4723595571428572,
"spacegroup": 198
},
{
"id": "jvasp-53451",
"created_at": "2022-09-04T14:35:52.314642Z",
"updated_at": "2022-09-04T14:35:52.314669Z",
"structure_string": "Fe1 Sb1 O4\n1.0\n3.090845 0.000000 0.000000\n0.000000 4.710027 -0.096888\n0.000000 -0.096888 4.710027\nFe Sb O\n1 1 4\ndirect\n0.500001 0.500000 0.500000 Fe\n0.000000 0.000000 0.000000 Sb\n0.000000 0.307342 0.307342 O\n0.000000 0.692658 0.692658 O\n0.500001 0.806530 0.193471 O\n0.500001 0.193471 0.806530 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Fe",
"Sb",
"O"
],
"chemical_system": "Fe-O-Sb",
"density": 5.85343083748854,
"density_atomic": 0.08754090670662248,
"volume": 68.53938605077413,
"volume_molar": 6.879230506695705,
"formula_full": "Fe1 Sb1 O4",
"formula_reduced": "FeSbO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.478245933333334,
"spacegroup": 65
},
{
"id": "jvasp-53450",
"created_at": "2022-09-04T14:36:48.083814Z",
"updated_at": "2022-09-04T14:36:48.083840Z",
"structure_string": "In4 Sn1 S8\n1.0\n6.608990 0.001191 3.817648\n2.204120 6.234193 3.817648\n0.000000 -0.000000 7.635295\nIn Sn S\n4 1 8\ndirect\n0.491578 0.489885 0.028650 In\n0.491578 0.489885 0.489886 In\n0.491578 0.028650 0.489886 In\n0.888868 0.870377 0.870378 In\n0.027774 0.490741 0.490742 Sn\n0.240572 0.256502 0.256503 S\n0.240572 0.256502 0.746423 S\n0.240572 0.746422 0.256503 S\n0.742671 0.252442 0.252443 S\n0.288831 0.737056 0.737057 S\n0.743469 0.276643 0.739945 S\n0.743469 0.739943 0.276644 S\n0.743469 0.739943 0.739945 S\n",
"nsites": 13,
"nelements": 3,
"elements": [
"In",
"Sn",
"S"
],
"chemical_system": "In-S-Sn",
"density": 4.405173230846986,
"density_atomic": 0.041326617864026575,
"volume": 314.5672370957813,
"volume_molar": 14.57206292519299,
"formula_full": "In4 Sn1 S8",
"formula_reduced": "In4SnS8",
"formula_anonymous": "AB4C8",
"energy_above_hull": 1.243044736923077,
"spacegroup": 160
},
{
"id": "jvasp-53448",
"created_at": "2022-09-04T14:35:56.308951Z",
"updated_at": "2022-09-04T14:35:56.308961Z",
"structure_string": "Cu4 Si2 Te6\n1.0\n7.297056 -0.007658 0.001646\n2.391659 6.925971 -0.000299\n3.647010 -0.003060 6.361736\nCu Si Te\n4 2 6\ndirect\n0.987159 0.006737 0.003336 Cu\n0.341230 0.001175 0.326808 Cu\n0.157108 0.506693 0.663618 Cu\n0.834554 0.501170 0.340187 Cu\n0.681475 0.985723 0.663220 Si\n0.511220 0.485752 0.003731 Si\n0.370094 0.871292 0.001323 Te\n0.050758 0.879202 0.663284 Te\n0.880570 0.379229 0.003670 Te\n0.709004 0.872232 0.337123 Te\n0.537972 0.371269 0.665637 Te\n0.212671 0.372241 0.329822 Te\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Cu",
"Si",
"Te"
],
"chemical_system": "Cu-Si-Te",
"density": 5.55569010763015,
"density_atomic": 0.03731436484832588,
"volume": 321.5919672967014,
"volume_molar": 16.138934119550438,
"formula_full": "Cu4 Si2 Te6",
"formula_reduced": "Cu2SiTe3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.9200071333333332,
"spacegroup": 9
},
{
"id": "jvasp-53445",
"created_at": "2022-09-04T14:36:01.581868Z",
"updated_at": "2022-09-04T14:36:01.581889Z",
"structure_string": "Tm2 Pa2 O8\n1.0\n6.167299 -0.000000 4.360939\n3.078809 3.776683 8.728722\n-0.004840 -0.000000 6.548253\nTm Pa O\n2 2 8\ndirect\n0.000000 0.000000 0.000000 Tm\n0.750000 0.500000 0.000000 Tm\n0.500000 0.000000 0.000000 Pa\n0.250000 0.500000 0.000000 Pa\n0.130736 -0.005736 0.255736 O\n0.375000 0.005736 0.744263 O\n0.619264 0.005736 0.244264 O\n0.130736 0.494263 0.755736 O\n0.375000 0.494263 0.255736 O\n0.875000 -0.005736 0.755736 O\n0.875001 0.505736 0.244264 O\n0.619264 0.505736 0.744264 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Tm",
"Pa",
"O"
],
"chemical_system": "O-Pa-Tm",
"density": 10.09738513421305,
"density_atomic": 0.07863634807049998,
"volume": 152.6011862763721,
"volume_molar": 7.658215199160775,
"formula_full": "Tm2 Pa2 O8",
"formula_reduced": "TmPaO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.246501891666667,
"spacegroup": 141
},
{
"id": "jvasp-53444",
"created_at": "2022-09-04T14:35:53.461518Z",
"updated_at": "2022-09-04T14:35:53.461537Z",
"structure_string": "Na3 Y1 Cl6\n1.0\n6.162116 0.004755 4.151199\n2.211257 5.751700 4.151199\n0.006916 0.004754 7.429946\nNa Y Cl\n3 1 6\ndirect\n0.196957 0.196956 0.196957 Na\n0.500001 0.499999 0.500000 Na\n0.803045 0.803042 0.803043 Na\n0.000000 0.000000 0.000000 Y\n0.107331 0.375890 0.772454 Cl\n0.375891 0.772454 0.107330 Cl\n0.772455 0.107329 0.375891 Cl\n0.227547 0.892670 0.624110 Cl\n0.624111 0.227545 0.892671 Cl\n0.892672 0.624109 0.227546 Cl\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Na",
"Y",
"Cl"
],
"chemical_system": "Cl-Na-Y",
"density": 2.3397238214043656,
"density_atomic": 0.03802052439126447,
"volume": 263.0158357915122,
"volume_molar": 15.839183852455324,
"formula_full": "Na3 Y1 Cl6",
"formula_reduced": "Na3YCl6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.0011,
"spacegroup": 148
},
{
"id": "jvasp-53442",
"created_at": "2022-09-04T14:37:40.372552Z",
"updated_at": "2022-09-04T14:37:40.372576Z",
"structure_string": "Nd4 Pb2 Se8\n1.0\n7.377409 0.000000 -2.614853\n-3.685620 6.394367 -2.606127\n-0.006170 -0.000000 7.827107\nNd Pb Se\n4 2 8\ndirect\n0.250000 0.633045 0.383045 Nd\n0.750000 0.866956 0.116955 Nd\n0.616955 0.366955 0.250000 Nd\n0.883045 0.133045 0.750001 Nd\n0.125000 0.750000 0.875000 Pb\n0.375000 0.250000 0.625000 Pb\n0.990117 0.847971 0.491903 Se\n0.508098 0.998215 0.356069 Se\n0.142146 0.152030 0.143931 Se\n0.357854 0.501786 0.009884 Se\n0.509884 0.001785 0.857855 Se\n0.643931 0.652030 0.642146 Se\n0.856069 0.498215 0.008097 Se\n0.991903 0.347971 0.490117 Se\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Nd",
"Pb",
"Se"
],
"chemical_system": "Nd-Pb-Se",
"density": 7.30128211749741,
"density_atomic": 0.03792684388713654,
"volume": 369.13169051612834,
"volume_molar": 15.8783071376063,
"formula_full": "Nd4 Pb2 Se8",
"formula_reduced": "Nd2PbSe4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.258371040952381,
"spacegroup": 122
},
{
"id": "jvasp-53440",
"created_at": "2022-09-04T14:35:55.112310Z",
"updated_at": "2022-09-04T14:35:55.112333Z",
"structure_string": "Li4 Mn2 Cl8\n1.0\n6.381419 -0.048701 3.658647\n2.081224 6.032694 3.658647\n-0.000000 -0.000000 7.317294\nLi Mn Cl\n4 2 8\ndirect\n0.110731 0.110731 0.139269 Li\n0.500000 0.500000 0.000001 Li\n0.500000 0.500000 0.500000 Li\n0.889269 0.889269 0.860731 Li\n0.500000 0.000000 0.500000 Mn\n-0.000000 0.500000 0.500000 Mn\n0.251677 0.251676 0.257869 Cl\n0.251677 0.251676 0.738778 Cl\n0.254962 0.724793 0.260123 Cl\n0.724793 0.254962 0.260123 Cl\n0.275207 0.745037 0.739878 Cl\n0.745038 0.275207 0.739877 Cl\n0.748323 0.748323 0.261222 Cl\n0.748323 0.748323 0.742132 Cl\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Li",
"Mn",
"Cl"
],
"chemical_system": "Cl-Li-Mn",
"density": 2.476752098870638,
"density_atomic": 0.04956864393794017,
"volume": 282.4366149198668,
"volume_molar": 12.149093220181102,
"formula_full": "Li4 Mn2 Cl8",
"formula_reduced": "Li2MnCl4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.7570019301970441,
"spacegroup": 74
},
{
"id": "jvasp-5344",
"created_at": "2022-09-04T14:37:42.498016Z",
"updated_at": "2022-09-04T14:37:42.498037Z",
"structure_string": "Sb4 Br12\n1.0\n4.225031 0.000000 0.000000\n0.000000 9.959519 0.000000\n0.000000 0.000000 12.582748\nSb Br\n4 12\ndirect\n0.206040 0.499948 0.981432 Sb\n0.706040 0.000053 0.018569 Sb\n0.793960 -0.000053 0.518569 Sb\n0.293960 0.500053 0.481432 Sb\n0.538107 0.317637 0.884105 Br\n0.038107 0.182363 0.115895 Br\n0.461893 0.817637 0.615895 Br\n0.961893 0.682363 0.384105 Br\n0.968014 0.499967 0.654742 Br\n0.468014 0.000033 0.345258 Br\n0.031985 -0.000033 0.845258 Br\n0.531985 0.500033 0.154742 Br\n0.962018 0.317729 0.384091 Br\n0.462018 0.182271 0.615909 Br\n0.037982 0.817729 0.115909 Br\n0.537982 0.682271 0.884091 Br\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Sb",
"Br"
],
"chemical_system": "Br-Sb",
"density": 4.534610482743297,
"density_atomic": 0.030218730776700564,
"volume": 529.4729324745969,
"volume_molar": 19.928503299824985,
"formula_full": "Sb4 Br12",
"formula_reduced": "SbBr3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.18917960375,
"spacegroup": 62
},
{
"id": "jvasp-53439",
"created_at": "2022-09-04T14:35:49.705871Z",
"updated_at": "2022-09-04T14:35:49.705887Z",
"structure_string": "Ba1 Fe2 S4\n1.0\n5.072555 0.019576 0.017261\n2.514560 5.333228 0.007152\n2.517406 0.010753 5.332671\nBa Fe S\n1 2 4\ndirect\n0.985678 -0.000004 -0.000006 Ba\n0.235879 0.500015 0.500010 Fe\n0.735892 0.499993 0.499993 Fe\n0.183640 0.413824 0.190534 S\n0.374283 0.809487 0.413850 S\n0.597501 0.190513 0.586146 S\n0.788133 0.586174 0.809471 S\n",
"nsites": 7,
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"elements": [
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"Fe",
"S"
],
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"density": 4.357494531708043,
"density_atomic": 0.04868839555011629,
"volume": 143.77142481096362,
"volume_molar": 12.36873939253399,
"formula_full": "Ba1 Fe2 S4",
"formula_reduced": "Ba(FeS2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.1701838528571424,
"spacegroup": 87
},
{
"id": "jvasp-53435",
"created_at": "2022-09-04T14:35:44.045921Z",
"updated_at": "2022-09-04T14:35:44.045945Z",
"structure_string": "Sm4 Zn2 S8\n1.0\n7.004122 -0.000000 -2.244702\n-3.611252 5.876623 -2.553540\n0.218382 -0.000000 7.351783\nSm Zn S\n4 2 8\ndirect\n0.250000 0.647318 0.397318 Sm\n0.602682 0.352682 0.250000 Sm\n0.750000 0.852682 0.102682 Sm\n0.897317 0.147318 0.750000 Sm\n0.125000 0.750000 0.874999 Zn\n0.375000 0.250000 0.625000 Zn\n0.020848 0.901500 0.490587 S\n0.479152 0.969739 0.880652 S\n0.119348 0.098500 0.089087 S\n0.380652 0.469739 0.979152 S\n0.589087 0.598500 0.619347 S\n0.509413 0.030261 0.410913 S\n0.910913 0.530260 0.009413 S\n0.990587 0.401500 0.520848 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Sm",
"Zn",
"S"
],
"chemical_system": "S-Sm-Zn",
"density": 5.374756904160059,
"density_atomic": 0.04582885106095295,
"volume": 305.48442031374134,
"volume_molar": 13.140501279402526,
"formula_full": "Sm4 Zn2 S8",
"formula_reduced": "Sm2ZnS4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.234481164285714,
"spacegroup": 122
}
]
}