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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_reduced&page=911",
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"results": [
{
"id": "jvasp-108616",
"created_at": "2022-09-04T14:38:20.009057Z",
"updated_at": "2022-09-04T14:38:20.009075Z",
"structure_string": "Cd3 Pd1\n1.0\n3.805657 -0.047642 -3.688183\n-0.715007 3.738189 -3.688183\n0.039898 0.047642 5.299446\nCd Pd\n3 1\ndirect\n0.750001 0.250000 0.500002 Cd\n0.250000 0.750000 0.500001 Cd\n0.500000 0.500000 0.000001 Cd\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 4,
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"elements": [
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"Pd"
],
"chemical_system": "Cd-Pd",
"density": 9.622279298157656,
"density_atomic": 0.05224508377994924,
"volume": 76.56222768916548,
"volume_molar": 11.526712801083102,
"formula_full": "Cd3 Pd1",
"formula_reduced": "Cd3Pd",
"formula_anonymous": "AB3",
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"spacegroup": 139
},
{
"id": "jvasp-102466",
"created_at": "2022-09-04T14:36:52.941603Z",
"updated_at": "2022-09-04T14:36:52.941634Z",
"structure_string": "Cd3 Pd1\n1.0\n4.244278 0.000000 0.000000\n0.000000 4.244278 0.000000\n-0.000000 0.000000 4.244278\nCd Pd\n3 1\ndirect\n-0.000000 0.500000 0.500000 Cd\n0.500000 0.000000 0.500000 Cd\n0.500000 0.500000 -0.000000 Cd\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 4,
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"elements": [
"Cd",
"Pd"
],
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"density": 9.635650803640553,
"density_atomic": 0.0523176856451177,
"volume": 76.4559813890254,
"volume_molar": 11.510717046716282,
"formula_full": "Cd3 Pd1",
"formula_reduced": "Cd3Pd",
"formula_anonymous": "AB3",
"energy_above_hull": 0.002045,
"spacegroup": 221
},
{
"id": "jvasp-110273",
"created_at": "2022-09-04T14:37:54.984424Z",
"updated_at": "2022-09-04T14:37:54.984444Z",
"structure_string": "Cd3 P1 I3\n1.0\n4.482305 -0.000000 0.000000\n0.000000 7.369227 0.104456\n0.000000 -0.024778 7.712036\nCd P I\n3 1 3\ndirect\n-0.000000 0.467243 0.695713 Cd\n0.499999 0.503078 0.114198 Cd\n0.499999 0.040150 0.860317 Cd\n0.499999 0.377458 0.815110 P\n-0.000000 0.875586 0.662288 I\n0.499999 0.876997 0.196645 I\n-0.000000 0.351491 0.322397 I\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Cd",
"P",
"I"
],
"chemical_system": "Cd-I-P",
"density": 4.881715436376154,
"density_atomic": 0.02747804777088716,
"volume": 254.74881106424382,
"volume_molar": 21.91618855245031,
"formula_full": "Cd3 P1 I3",
"formula_reduced": "Cd3PI3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 0.0,
"spacegroup": 6
},
{
"id": "jvasp-110766",
"created_at": "2022-09-04T14:38:48.064864Z",
"updated_at": "2022-09-04T14:38:48.064886Z",
"structure_string": "Cd6 Pt2\n1.0\n6.041019 0.000000 0.000000\n-3.020509 5.231676 0.000000\n0.000000 0.000000 4.853782\nCd Pt\n6 2\ndirect\n0.170984 0.341967 0.250000 Cd\n0.658033 0.829017 0.250000 Cd\n0.170984 0.829017 0.250000 Cd\n0.829017 0.658034 0.750000 Cd\n0.341967 0.170984 0.750000 Cd\n0.829017 0.170984 0.750000 Cd\n0.333333 0.666667 0.750000 Pt\n0.666667 0.333334 0.250000 Pt\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Cd",
"Pt"
],
"chemical_system": "Cd-Pt",
"density": 11.524394607083368,
"density_atomic": 0.0521505242339618,
"volume": 153.4021012734171,
"volume_molar": 11.547613084353664,
"formula_full": "Cd6 Pt2",
"formula_reduced": "Cd3Pt",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 194
},
{
"id": "jvasp-102467",
"created_at": "2022-09-04T14:36:47.991055Z",
"updated_at": "2022-09-04T14:36:47.991075Z",
"structure_string": "Cd3 Se1\n1.0\n3.896385 0.043789 -5.577527\n-0.350203 3.880862 -5.577527\n-0.039567 -0.043789 6.803606\nCd Se\n3 1\ndirect\n0.750001 0.250000 0.500000 Cd\n0.250000 0.750000 0.500000 Cd\n0.500001 0.500000 0.000000 Cd\n0.000000 0.000000 0.000000 Se\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Cd",
"Se"
],
"chemical_system": "Cd-Se",
"density": 6.835854930689153,
"density_atomic": 0.03956479866002204,
"volume": 101.0999710720573,
"volume_molar": 15.22095641569643,
"formula_full": "Cd3 Se1",
"formula_reduced": "Cd3Se",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 139
},
{
"id": "jvasp-11146",
"created_at": "2022-09-04T14:37:07.816489Z",
"updated_at": "2022-09-04T14:37:07.816507Z",
"structure_string": "Cd6 Si2 O10\n1.0\n6.881901 0.000000 0.000000\n0.000000 6.881901 0.000000\n0.000000 0.000000 5.063613\nCd Si O\n6 2 10\ndirect\n0.000000 0.500000 0.968446 Cd\n0.500000 0.000000 0.031554 Cd\n0.750000 0.750000 0.500000 Cd\n0.250000 0.750000 0.500000 Cd\n0.750000 0.250000 0.500000 Cd\n0.250000 0.250000 0.500000 Cd\n0.500000 0.500000 0.000000 Si\n0.000000 0.000000 0.000000 Si\n0.500000 0.689699 0.199000 O\n0.810301 0.000000 0.199000 O\n0.310301 0.500000 0.800999 O\n0.689699 0.500000 0.800999 O\n0.000000 0.500000 0.394125 O\n0.000000 0.810301 0.800999 O\n0.500000 0.000000 0.605874 O\n0.189699 0.000000 0.199000 O\n0.000000 0.189699 0.800999 O\n0.500000 0.310301 0.199000 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Cd",
"Si",
"O"
],
"chemical_system": "Cd-O-Si",
"density": 6.1669376450187015,
"density_atomic": 0.07505768362509663,
"volume": 239.8155542596766,
"volume_molar": 8.023350134384389,
"formula_full": "Cd6 Si2 O10",
"formula_reduced": "Cd3SiO5",
"formula_anonymous": "AB3C5",
"energy_above_hull": 1.0471383722222225,
"spacegroup": 129
},
{
"id": "jvasp-110765",
"created_at": "2022-09-04T14:38:37.388921Z",
"updated_at": "2022-09-04T14:38:37.388946Z",
"structure_string": "Cd3 Te1\n1.0\n4.450609 0.645557 -5.386697\n-0.091715 4.496249 -5.386697\n-0.547262 -0.645557 6.965984\nCd Te\n3 1\ndirect\n0.750001 0.250000 0.500000 Cd\n0.250001 0.750000 0.500000 Cd\n0.500001 0.500000 0.000000 Cd\n0.000000 0.000000 0.000000 Te\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Cd",
"Te"
],
"chemical_system": "Cd-Te",
"density": 6.851236274928199,
"density_atomic": 0.03550445793813601,
"volume": 112.66190873748066,
"volume_molar": 16.96164681768456,
"formula_full": "Cd3 Te1",
"formula_reduced": "Cd3Te",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 139
},
{
"id": "jvasp-49183",
"created_at": "2022-09-04T14:37:04.382625Z",
"updated_at": "2022-09-04T14:37:04.382648Z",
"structure_string": "Cd6 Te2 O12\n1.0\n0.000000 5.574690 0.000425\n5.708141 0.000000 0.000000\n0.000000 -5.553536 -8.155908\nCd Te O\n6 2 12\ndirect\n0.751567 0.455632 0.741304 Cd\n0.248432 0.955632 0.758697 Cd\n0.248433 0.544367 0.258697 Cd\n0.751568 0.044367 0.241304 Cd\n0.500000 0.500000 0.000000 Cd\n0.500000 0.000000 0.500000 Cd\n-0.000000 0.500000 0.500000 Te\n0.000000 0.000000 0.000000 Te\n0.658401 0.424327 0.277489 O\n0.341599 0.924327 0.222512 O\n0.758651 0.824481 0.049879 O\n0.241350 0.324481 0.450121 O\n0.241350 0.175519 0.950121 O\n0.915885 0.280741 0.081615 O\n0.084115 0.719259 0.918386 O\n0.915885 0.219259 0.581615 O\n0.658401 0.075673 0.777489 O\n0.084115 0.780741 0.418386 O\n0.758650 0.675519 0.549880 O\n0.341599 0.575673 0.722512 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Cd",
"Te",
"O"
],
"chemical_system": "Cd-O-Te",
"density": 7.177028626941284,
"density_atomic": 0.0770663532349164,
"volume": 259.5166263938205,
"volume_molar": 7.814228268519591,
"formula_full": "Cd6 Te2 O12",
"formula_reduced": "Cd3TeO6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 1.0362538016666665,
"spacegroup": 14
},
{
"id": "jvasp-50084",
"created_at": "2022-09-04T14:37:04.672370Z",
"updated_at": "2022-09-04T14:37:04.672397Z",
"structure_string": "Cd4 B6 O13\n1.0\n-3.929996 3.929996 3.929996\n3.929996 -3.929996 3.929996\n3.929996 3.929996 -3.929996\nCd B O\n4 6 13\ndirect\n0.683224 0.000000 0.000000 Cd\n0.316777 0.316777 0.316777 Cd\n0.000000 0.683224 0.000000 Cd\n0.000000 0.000000 0.683224 Cd\n0.750001 0.500000 0.250000 B\n0.750001 0.250000 0.500000 B\n0.500000 0.250000 0.750001 B\n0.500000 0.750001 0.250000 B\n0.250000 0.750001 0.500000 B\n0.250000 0.500000 0.750001 B\n0.291750 0.584788 0.584788 O\n0.293038 0.708251 0.293038 O\n0.293038 0.293038 0.708251 O\n0.584788 0.584788 0.291750 O\n0.584788 0.291750 0.584788 O\n0.706963 0.415213 0.000000 O\n0.415213 0.706963 0.000000 O\n0.000000 0.000000 0.000000 O\n0.708251 0.293038 0.293038 O\n0.000000 0.706963 0.415213 O\n0.706963 0.000000 0.415213 O\n0.415213 0.000000 0.706963 O\n0.000000 0.415213 0.706963 O\n",
"nsites": 23,
"nelements": 3,
"elements": [
"Cd",
"B",
"O"
],
"chemical_system": "B-Cd-O",
"density": 4.941422119468792,
"density_atomic": 0.09473086864939001,
"volume": 242.79308664555458,
"volume_molar": 6.357104971019156,
"formula_full": "Cd4 B6 O13",
"formula_reduced": "Cd4B6O13",
"formula_anonymous": "A4B6C13",
"energy_above_hull": 2.709151304347825,
"spacegroup": 217
},
{
"id": "jvasp-97394",
"created_at": "2022-09-04T14:36:03.062846Z",
"updated_at": "2022-09-04T14:36:03.062871Z",
"structure_string": "Cd8 Ge2 S12\n1.0\n6.882603 0.000000 2.072268\n3.146543 6.166499 2.015114\n0.002107 0.009160 12.458696\nCd Ge S\n8 2 12\ndirect\n0.286702 -0.000118 0.640081 Cd\n0.764728 0.242642 0.452932 Cd\n0.539698 0.742642 0.952932 Cd\n0.918433 0.679379 0.644085 Cd\n0.758103 0.179379 0.144085 Cd\n0.668458 0.258925 0.801259 Cd\n0.271358 0.758925 0.301258 Cd\n0.073335 0.499882 0.140081 Cd\n0.672489 0.802985 0.390355 Ge\n0.134171 0.302985 0.890355 Ge\n0.912636 0.043355 0.638259 S\n0.699533 0.835824 0.203649 S\n0.428288 0.133233 0.973901 S\n0.475189 0.128480 0.441167 S\n0.955164 0.628481 0.941167 S\n0.963557 0.098687 0.939839 S\n-0.002082 0.598687 0.439838 S\n0.011006 0.170210 0.258676 S\n0.560108 0.670210 0.758677 S\n0.260994 0.335824 0.703650 S\n0.464579 0.633233 0.473900 S\n0.405750 0.543355 0.138259 S\n",
"nsites": 22,
"nelements": 3,
"elements": [
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"Ge",
"S"
],
"chemical_system": "Cd-Ge-S",
"density": 4.489526204846787,
"density_atomic": 0.041613679295319436,
"volume": 528.6723109454656,
"volume_molar": 14.471541238309467,
"formula_full": "Cd8 Ge2 S12",
"formula_reduced": "Cd4GeS6",
"formula_anonymous": "AB4C6",
"energy_above_hull": 0.4478822681818181,
"spacegroup": 9
},
{
"id": "jvasp-58922",
"created_at": "2022-09-04T14:37:10.668346Z",
"updated_at": "2022-09-04T14:37:10.668373Z",
"structure_string": "Cd8 O2 F12\n1.0\n7.584569 0.000000 0.000000\n0.000000 7.584569 -0.000000\n-0.000000 0.000000 5.482510\nCd O F\n8 2 12\ndirect\n0.251231 0.000000 0.302638 Cd\n0.500000 0.248769 0.802638 Cd\n0.500000 0.751231 0.802638 Cd\n0.748769 0.000000 0.302638 Cd\n0.248769 0.500000 0.197362 Cd\n0.751231 0.500000 0.197362 Cd\n0.000000 0.251231 0.697362 Cd\n0.000000 0.748769 0.697362 Cd\n0.500000 0.500000 0.000000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.075804 F\n0.500000 0.000000 0.575804 F\n0.287768 0.287768 0.500000 F\n0.787768 0.212232 0.000000 F\n0.212232 0.787768 0.000000 F\n0.787768 0.787768 0.000000 F\n0.212232 0.212232 0.000000 F\n0.712232 0.287768 0.500000 F\n0.287768 0.712232 0.500000 F\n0.000000 0.500000 0.924196 F\n0.712232 0.712232 0.500000 F\n0.000000 0.500000 0.424196 F\n",
"nsites": 22,
"nelements": 3,
"elements": [
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"O",
"F"
],
"chemical_system": "Cd-F-O",
"density": 6.103677294831489,
"density_atomic": 0.06975597848168678,
"volume": 315.38515377252884,
"volume_molar": 8.633153589238244,
"formula_full": "Cd8 O2 F12",
"formula_reduced": "Cd4OF6",
"formula_anonymous": "AB4C6",
"energy_above_hull": 0.0,
"spacegroup": 137
},
{
"id": "jvasp-36508",
"created_at": "2022-09-04T14:37:31.638201Z",
"updated_at": "2022-09-04T14:37:31.638227Z",
"structure_string": "Cd8 S2 F12\n1.0\n5.566766 -0.000437 -0.000475\n-0.000849 7.948966 0.000121\n-0.000813 0.000013 7.949052\nCd S F\n8 2 12\ndirect\n0.516206 0.250020 0.485989 Cd\n0.516212 0.250056 0.013991 Cd\n0.016200 0.485990 0.250024 Cd\n0.016201 0.013987 0.250024 Cd\n0.483797 0.749944 0.514008 Cd\n0.483777 0.749945 0.986007 Cd\n0.983803 0.514009 0.749930 Cd\n0.983790 0.986012 0.749966 Cd\n0.250001 0.750015 0.249986 S\n0.749990 0.249982 0.750006 S\n0.278416 0.250089 0.249945 F\n0.778415 0.249933 0.250081 F\n0.749896 0.535953 0.036168 F\n0.750078 0.536072 0.463974 F\n0.749978 0.963916 0.036084 F\n0.250050 0.464019 0.963825 F\n0.249934 0.036139 0.535980 F\n0.249968 0.036108 0.963930 F\n0.250084 0.463974 0.536064 F\n0.221577 0.750075 0.749932 F\n0.750062 0.963839 0.464006 F\n0.721576 0.749920 0.750068 F\n",
"nsites": 22,
"nelements": 3,
"elements": [
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"S",
"F"
],
"chemical_system": "Cd-F-S",
"density": 5.62441468916518,
"density_atomic": 0.06254516532642007,
"volume": 351.7458125689349,
"volume_molar": 9.62846725013956,
"formula_full": "Cd8 S2 F12",
"formula_reduced": "Cd4SF6",
"formula_anonymous": "AB4C6",
"energy_above_hull": 0.0,
"spacegroup": 137
}
]
}