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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=302",
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"results": [
{
"id": "jvasp-119656",
"created_at": "2022-09-04T14:38:36.634687Z",
"updated_at": "2022-09-04T14:38:36.634707Z",
"structure_string": "K1 In5 S8\n1.0\n9.565362 -0.004696 2.149086\n8.772005 3.814197 2.149086\n-0.016688 -0.003467 9.307388\nK In S\n1 5 8\ndirect\n0.517699 0.517698 0.512601 K\n0.999853 0.999853 0.000811 In\n0.715144 0.715143 0.663012 In\n0.286934 0.286933 0.338402 In\n0.357457 0.357456 0.899257 In\n0.643162 0.643163 0.099964 In\n0.934199 0.934198 0.775596 S\n0.066179 0.066179 0.224174 S\n0.586308 0.586307 0.877807 S\n0.413663 0.413663 0.121542 S\n0.237902 0.237901 0.847683 S\n0.762218 0.762218 0.154062 S\n0.163543 0.163542 0.525431 S\n0.836731 0.836731 0.476145 S\n",
"nsites": 14,
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"elements": [
"K",
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],
"chemical_system": "In-K-S",
"density": 4.246369754317811,
"density_atomic": 0.041164527168113696,
"volume": 340.09864713919245,
"volume_molar": 14.629442323984202,
"formula_full": "K1 In5 S8",
"formula_reduced": "KIn5S8",
"formula_anonymous": "AB5C8",
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"spacegroup": 8
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{
"id": "jvasp-33944",
"created_at": "2022-09-04T14:38:37.474715Z",
"updated_at": "2022-09-04T14:38:37.474736Z",
"structure_string": "Te9 Mo8 S7\n1.0\n1.868929 2.841536 0.000305\n-7.828683 9.219922 0.043413\n-1.534598 3.043426 14.407517\nTe Mo S\n9 8 7\ndirect\n0.271281 0.674618 0.108072 Te\n0.704891 0.350184 0.889981 Te\n0.033318 0.412245 0.108765 Te\n0.476769 0.075011 0.896573 Te\n0.702905 0.104275 0.385491 Te\n0.790618 0.144959 0.128723 Te\n0.478919 0.825847 0.390305 Te\n0.269657 0.922821 0.615205 Te\n0.046678 0.648655 0.609473 Te\n0.335891 0.033221 0.261636 Mo\n0.166783 0.456909 0.752763 Mo\n0.085914 0.787256 0.253508 Mo\n0.913686 0.203430 0.765925 Mo\n0.832931 0.547306 0.239384 Mo\n0.665950 0.957698 0.752848 Mo\n0.576678 0.300802 0.244919 Mo\n0.419738 0.710692 0.739266 Mo\n0.513627 0.155821 0.661275 S\n0.522322 0.899320 0.156571 S\n0.968131 0.359382 0.344832 S\n0.236236 0.590881 0.345602 S\n0.969708 0.608330 0.844044 S\n0.235254 0.840532 0.848559 S\n0.782138 0.389805 0.656285 S\n",
"nsites": 24,
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"elements": [
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"Mo",
"S"
],
"chemical_system": "Mo-S-Te",
"density": 6.253780925266089,
"density_atomic": 0.04222940263514981,
"volume": 568.3244020132908,
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"formula_full": "Te9 Mo8 S7",
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"formula_anonymous": "A7B8C9",
"energy_above_hull": 3.665396545833333,
"spacegroup": 8
},
{
"id": "jvasp-118109",
"created_at": "2022-09-04T14:38:37.270766Z",
"updated_at": "2022-09-04T14:38:37.270794Z",
"structure_string": "Cl1 O2\n1.0\n4.148084 -0.001588 -0.031524\n-0.947804 -2.713749 0.073003\n-0.298096 -1.483928 -4.002180\nCl O\n1 2\ndirect\n-0.054643 0.911099 0.001704 Cl\n0.572554 0.684333 0.098008 O\n0.033557 0.131560 0.638584 O\n",
"nsites": 3,
"nelements": 2,
"elements": [
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"O"
],
"chemical_system": "Cl-O",
"density": 2.462296859271177,
"density_atomic": 0.06595064157470051,
"volume": 45.4885643015615,
"volume_molar": 9.131284573143816,
"formula_full": "Cl1 O2",
"formula_reduced": "ClO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.5164170225000002,
"spacegroup": 8
},
{
"id": "jvasp-110546",
"created_at": "2022-09-04T14:38:37.456095Z",
"updated_at": "2022-09-04T14:38:37.456120Z",
"structure_string": "Sb4 Te3 Se3\n1.0\n10.238774 -0.015413 1.210117\n9.378576 4.107920 1.210117\n0.015239 0.003179 7.287659\nSb Te Se\n4 3 3\ndirect\n0.908399 0.908400 0.702471 Sb\n0.406540 0.406541 0.191742 Sb\n0.588662 0.588663 0.803076 Sb\n0.091551 0.091552 0.302696 Sb\n0.819609 0.819610 0.393205 Te\n0.178005 0.178005 0.610583 Te\n0.678901 0.678902 0.103137 Te\n0.497501 0.497502 0.501298 Se\n0.999031 0.999032 0.000719 Se\n0.331798 0.331799 0.891079 Se\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Sb",
"Te",
"Se"
],
"chemical_system": "Sb-Se-Te",
"density": 5.976554826595167,
"density_atomic": 0.032521012033803885,
"volume": 307.4935057250225,
"volume_molar": 18.517691742619512,
"formula_full": "Sb4 Te3 Se3",
"formula_reduced": "Sb4(TeSe)3",
"formula_anonymous": "A3B3C4",
"energy_above_hull": 1.5780447800000004,
"spacegroup": 8
},
{
"id": "jvasp-111096",
"created_at": "2022-09-04T14:38:38.191080Z",
"updated_at": "2022-09-04T14:38:38.191103Z",
"structure_string": "Cd2 In1 Ag1 S4\n1.0\n7.091648 0.002711 3.491015\n5.873652 3.973875 3.491015\n-0.037354 -0.011457 7.218946\nCd In Ag S\n2 1 1 4\ndirect\n0.494739 0.494738 0.175433 Cd\n0.004407 0.004406 0.648309 Cd\n0.753155 0.753152 0.599658 In\n0.246886 0.246885 0.072776 Ag\n0.061099 0.061098 0.263274 S\n0.566816 0.566813 0.770498 S\n0.817878 0.817874 0.855153 S\n0.302822 0.302820 0.366897 S\n",
"nsites": 8,
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"elements": [
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"Ag",
"S"
],
"chemical_system": "Ag-Cd-In-S",
"density": 4.689198076546875,
"density_atomic": 0.0392366384642227,
"volume": 203.8910649110441,
"volume_molar": 15.348258657507557,
"formula_full": "Cd2 In1 Ag1 S4",
"formula_reduced": "Cd2InAgS4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 0.37071209125,
"spacegroup": 8
},
{
"id": "jvasp-110519",
"created_at": "2022-09-04T14:38:38.650649Z",
"updated_at": "2022-09-04T14:38:38.650671Z",
"structure_string": "Zr2 Ga3 Cu1\n1.0\n4.280803 0.018177 3.285021\n2.275813 3.625780 3.285021\n0.002506 0.001393 6.616792\nZr Ga Cu\n2 3 1\ndirect\n0.544093 0.544094 0.198289 Zr\n0.452270 0.452270 0.795259 Zr\n0.851845 0.851847 0.610306 Ga\n0.826814 0.826816 0.207002 Ga\n0.159067 0.159066 0.796537 Ga\n0.165907 0.165907 0.392606 Cu\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Zr",
"Ga",
"Cu"
],
"chemical_system": "Cu-Ga-Zr",
"density": 7.3818593191843265,
"density_atomic": 0.05860045202181419,
"volume": 102.38828870750831,
"volume_molar": 10.276611446202226,
"formula_full": "Zr2 Ga3 Cu1",
"formula_reduced": "Zr2Ga3Cu",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.1879310708333335,
"spacegroup": 8
},
{
"id": "jvasp-110609",
"created_at": "2022-09-04T14:38:38.894629Z",
"updated_at": "2022-09-04T14:38:38.894641Z",
"structure_string": "Ca2 Zn3 Ag1\n1.0\n4.481469 0.038442 3.624106\n2.094267 3.962208 3.624106\n0.005712 0.003475 7.318939\nCa Zn Ag\n2 3 1\ndirect\n0.547721 0.547720 0.699482 Ca\n0.452684 0.452683 0.297086 Ca\n0.828344 0.828342 0.732490 Zn\n0.842590 0.842590 0.099783 Zn\n0.166841 0.166839 0.886593 Zn\n0.161825 0.161824 0.284571 Ag\n",
"nsites": 6,
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"elements": [
"Ca",
"Zn",
"Ag"
],
"chemical_system": "Ag-Ca-Zn",
"density": 4.93634901840799,
"density_atomic": 0.04641867919675549,
"volume": 129.25830945270368,
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"formula_full": "Ca2 Zn3 Ag1",
"formula_reduced": "Ca2Zn3Ag",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.0,
"spacegroup": 8
},
{
"id": "jvasp-106373",
"created_at": "2022-09-04T14:38:39.029642Z",
"updated_at": "2022-09-04T14:38:39.029651Z",
"structure_string": "Cd1 In1 Ag1 Te3\n1.0\n7.297240 -0.011318 3.274498\n5.836117 4.380591 3.274498\n0.004193 0.001395 6.549384\nCd In Ag Te\n1 1 1 3\ndirect\n0.664553 0.664551 0.336109 Cd\n0.335384 0.335382 0.652533 In\n-0.000473 -0.000473 0.011552 Ag\n0.500921 0.500919 0.241421 Te\n0.162952 0.162950 0.592697 Te\n0.836672 0.836669 0.915687 Te\n",
"nsites": 6,
"nelements": 4,
"elements": [
"Cd",
"In",
"Ag",
"Te"
],
"chemical_system": "Ag-Cd-In-Te",
"density": 5.6841006466069794,
"density_atomic": 0.028608932476435544,
"volume": 209.72470765702457,
"volume_molar": 21.049861839340863,
"formula_full": "Cd1 In1 Ag1 Te3",
"formula_reduced": "CdInAgTe3",
"formula_anonymous": "ABCD3",
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"spacegroup": 8
},
{
"id": "jvasp-120492",
"created_at": "2022-09-04T14:38:39.416058Z",
"updated_at": "2022-09-04T14:38:39.416085Z",
"structure_string": "Yb4 Cd1 S7\n1.0\n6.565555 -0.050928 4.075577\n5.324056 3.842335 4.075577\n1.057169 0.337114 11.573440\nYb Cd S\n4 1 7\ndirect\n0.312006 0.312004 0.813863 Yb\n0.695771 0.695770 0.182309 Yb\n0.005702 0.005702 -0.004588 Yb\n0.915620 0.915619 0.414260 Yb\n0.075446 0.075445 0.595062 Cd\n0.302311 0.302311 0.366797 S\n0.682270 0.682269 0.641335 S\n0.666770 0.666768 0.835137 S\n0.341952 0.341952 0.157049 S\n0.895846 0.895844 0.873630 S\n0.107160 0.107160 0.126007 S\n0.499154 0.499153 0.499140 S\n",
"nsites": 12,
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"elements": [
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"Cd",
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],
"chemical_system": "Cd-S-Yb",
"density": 6.17716271088702,
"density_atomic": 0.04338052879741455,
"volume": 276.6218009014955,
"volume_molar": 13.882128519279172,
"formula_full": "Yb4 Cd1 S7",
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"formula_anonymous": "AB4C7",
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"spacegroup": 8
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{
"id": "jvasp-115898",
"created_at": "2022-09-04T14:38:39.823439Z",
"updated_at": "2022-09-04T14:38:39.823472Z",
"structure_string": "P2 Cl1\n1.0\n5.243183 -0.997187 0.197670\n2.232619 -2.586706 -0.151246\n2.004435 -1.861430 -5.942931\nP Cl\n2 1\ndirect\n0.418462 0.786118 0.324720 P\n0.823722 0.657605 0.452969 P\n0.357237 0.144251 0.968517 Cl\n",
"nsites": 3,
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"elements": [
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"Cl"
],
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"density": 2.435802337247365,
"density_atomic": 0.04518069495245167,
"volume": 66.40004106083829,
"volume_molar": 13.32901312460493,
"formula_full": "P2 Cl1",
"formula_reduced": "P2Cl",
"formula_anonymous": "AB2",
"energy_above_hull": 1.7588383558333334,
"spacegroup": 8
},
{
"id": "jvasp-110606",
"created_at": "2022-09-04T14:38:39.784982Z",
"updated_at": "2022-09-04T14:38:39.785004Z",
"structure_string": "Cd2 Ga1 Cu1 S4\n1.0\n6.876518 0.015200 3.336390\n5.733630 3.796342 3.336390\n-0.026059 -0.007877 6.842833\nCd Ga Cu S\n2 1 1 4\ndirect\n0.002170 0.002170 0.349509 Cd\n0.507353 0.507351 0.815615 Cd\n0.251069 0.251068 0.398412 Ga\n0.746148 0.746146 0.930927 Cu\n0.921822 0.921819 0.753305 S\n0.426156 0.426155 0.236659 S\n0.193486 0.193485 0.135789 S\n0.702017 0.702015 0.629781 S\n",
"nsites": 8,
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"Cu",
"S"
],
"chemical_system": "Cd-Cu-Ga-S",
"density": 4.526963983825968,
"density_atomic": 0.04484335689322569,
"volume": 178.3987764129346,
"volume_molar": 13.429281787130753,
"formula_full": "Cd2 Ga1 Cu1 S4",
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"formula_anonymous": "ABC2D4",
"energy_above_hull": 0.3507265343749999,
"spacegroup": 8
},
{
"id": "jvasp-112444",
"created_at": "2022-09-04T14:38:40.350964Z",
"updated_at": "2022-09-04T14:38:40.350984Z",
"structure_string": "Fe6 O7 F5\n1.0\n5.093179 0.041074 2.066543\n1.362852 4.907626 2.066543\n0.057721 0.044244 7.590324\nFe O F\n6 7 5\ndirect\n0.667812 0.667812 0.832574 Fe\n0.338881 0.338881 0.649815 Fe\n0.650858 0.650858 0.335327 Fe\n0.348675 0.348675 0.187307 Fe\n0.997006 0.997006 0.500270 Fe\n0.003028 0.003028 0.003657 Fe\n0.308976 0.704352 -0.000302 O\n0.704352 0.308976 -0.000302 O\n0.029791 0.634187 0.663860 O\n0.432302 0.432302 0.372158 O\n0.958619 0.362715 0.335596 O\n0.634187 0.029790 0.663860 O\n0.362715 0.958619 0.335596 O\n0.772918 0.772918 0.027558 F\n0.889363 0.889362 0.300648 F\n0.238512 0.238511 0.954203 F\n0.567030 0.567030 0.638244 F\n0.094973 0.094973 0.699925 F\n",
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],
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"formula_full": "Fe6 O7 F5",
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"formula_anonymous": "A5B6C7",
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"spacegroup": 8
}
]
}