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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=structure_string&page=953",
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"results": [
{
"id": "jvasp-13022",
"created_at": "2022-09-04T14:36:38.141368Z",
"updated_at": "2022-09-04T14:36:38.141387Z",
"structure_string": "Cd6 P2 Cl6\n1.0\n3.860056 -6.685813 0.000000\n3.860056 6.685813 0.000000\n0.000000 -0.000000 7.182111\nCd P Cl\n6 2 6\ndirect\n0.666667 0.333334 0.491402 Cd\n0.333334 0.666667 0.508598 Cd\n0.500000 0.000000 0.000000 Cd\n0.500001 0.500000 0.000000 Cd\n0.000000 0.500000 0.000000 Cd\n0.000000 0.000000 0.500000 Cd\n0.666667 0.333334 0.146941 P\n0.333334 0.666667 0.853059 P\n0.830568 0.169577 0.696923 Cl\n0.339008 0.169433 0.696923 Cl\n0.169433 0.830424 0.303077 Cl\n0.660993 0.830568 0.303077 Cl\n0.169577 0.339008 0.303077 Cl\n0.830424 0.660993 0.696923 Cl\n",
"nsites": 14,
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"elements": [
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"P",
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],
"chemical_system": "Cd-Cl-P",
"density": 4.2515330195048415,
"density_atomic": 0.03776574848791085,
"volume": 370.7062764685181,
"volume_molar": 15.946038410777799,
"formula_full": "Cd6 P2 Cl6",
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"formula_anonymous": "AB3C3",
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{
"id": "jvasp-59712",
"created_at": "2022-09-04T14:37:28.288133Z",
"updated_at": "2022-09-04T14:37:28.288162Z",
"structure_string": "Cd6 P4\n1.0\n6.261223 0.000000 -0.000000\n0.000000 6.261223 -0.000000\n0.000000 0.000000 6.261223\nCd P\n6 4\ndirect\n0.500000 0.000000 0.500000 Cd\n0.500000 0.500000 0.000000 Cd\n0.000000 0.500000 0.000000 Cd\n0.000000 0.000000 0.500000 Cd\n0.500000 0.000000 0.000000 Cd\n0.000000 0.500000 0.500000 Cd\n0.250000 0.750000 0.750000 P\n0.750000 0.750000 0.250000 P\n0.750000 0.250000 0.750000 P\n0.250000 0.250000 0.250000 P\n",
"nsites": 10,
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"elements": [
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"density": 5.40095950810827,
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"volume_molar": 14.78183731104727,
"formula_full": "Cd6 P4",
"formula_reduced": "Cd3P2",
"formula_anonymous": "A2B3",
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"spacegroup": 224
},
{
"id": "jvasp-109030",
"created_at": "2022-09-04T14:38:17.244126Z",
"updated_at": "2022-09-04T14:38:17.244152Z",
"structure_string": "Cd6 Pb2\n1.0\n6.471272 -0.000000 0.000000\n-3.235636 5.604287 0.000000\n-0.000000 -0.000000 5.654897\nCd Pb\n6 2\ndirect\n0.836316 0.163684 0.750000 Cd\n0.327368 0.163684 0.750000 Cd\n0.836316 0.672633 0.750000 Cd\n0.163683 0.836317 0.250000 Cd\n0.672632 0.836317 0.250000 Cd\n0.163684 0.327368 0.250000 Cd\n0.666666 0.333334 0.250000 Pb\n0.333333 0.666667 0.750000 Pb\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Cd",
"Pb"
],
"chemical_system": "Cd-Pb",
"density": 8.816349807795275,
"density_atomic": 0.03900814208564874,
"volume": 205.08538915887598,
"volume_molar": 15.438163516676614,
"formula_full": "Cd6 Pb2",
"formula_reduced": "Cd3Pb",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 194
},
{
"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-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": [
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"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",
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"spacegroup": 129
},
{
"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-29654",
"created_at": "2022-09-04T14:38:33.244376Z",
"updated_at": "2022-09-04T14:38:33.244392Z",
"structure_string": "Cd7 I14\n1.0\n4.285702 -0.000000 -0.000000\n-2.142851 3.711527 0.000000\n-0.000000 -0.000000 48.151694\nCd I\n7 14\ndirect\n0.000000 0.000000 0.178569 Cd\n0.000000 0.000000 0.750006 Cd\n0.000000 0.000000 0.892818 Cd\n0.666667 0.333333 0.321411 Cd\n0.000000 0.000000 0.464292 Cd\n0.666667 0.333333 0.607096 Cd\n0.666667 0.333333 0.035709 Cd\n0.333333 0.666668 0.500330 I\n0.000000 0.000000 0.571105 I\n0.333333 0.666668 0.928859 I\n0.333333 0.666668 0.786033 I\n-0.000000 -0.000000 -0.000287 I\n0.333333 0.666668 0.643136 I\n0.333333 0.666668 0.071748 I\n0.333333 0.666668 0.214609 I\n0.666667 0.333333 0.714000 I\n0.666667 0.333333 0.856822 I\n0.666667 0.333333 0.142577 I\n0.666667 0.333333 0.428299 I\n0.333333 0.666668 0.357450 I\n0.000000 0.000000 0.285415 I\n",
"nsites": 21,
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"elements": [
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"I"
],
"chemical_system": "Cd-I",
"density": 5.557800586203208,
"density_atomic": 0.0274178332215002,
"volume": 765.9248573856107,
"volume_molar": 21.96432048932892,
"formula_full": "Cd7 I14",
"formula_reduced": "CdI2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0001033333333333,
"spacegroup": 156
},
{
"id": "jvasp-29656",
"created_at": "2022-09-04T14:38:34.611758Z",
"updated_at": "2022-09-04T14:38:34.611779Z",
"structure_string": "Cd7 I14\n1.0\n4.286167 0.000000 0.000000\n-2.143084 3.711930 -0.000000\n0.000000 -0.000000 48.140151\nCd I\n7 14\ndirect\n-0.000000 0.000000 0.892818 Cd\n-0.000000 0.000000 0.321387 Cd\n0.666668 0.333333 0.464264 Cd\n-0.000000 0.000000 0.607160 Cd\n-0.000000 0.000000 0.178598 Cd\n0.666668 0.333333 0.035711 Cd\n-0.000000 0.000000 0.749997 Cd\n0.666668 0.333333 0.856813 I\n0.333334 0.666667 0.928861 I\n0.333334 0.666667 0.786024 I\n0.000000 -0.000000 -0.000295 I\n0.333334 0.666667 0.643187 I\n-0.000000 0.000000 0.428261 I\n0.666668 0.333333 0.571147 I\n0.333334 0.666667 0.214627 I\n0.333334 0.666667 0.500309 I\n0.333334 0.666667 0.071752 I\n0.666668 0.333333 0.142587 I\n0.666668 0.333333 0.285382 I\n0.333334 0.666667 0.357428 I\n0.666668 0.333333 0.713983 I\n",
"nsites": 21,
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"density": 5.557926644871181,
"density_atomic": 0.02741845509619343,
"volume": 765.9074855357361,
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"formula_full": "Cd7 I14",
"formula_reduced": "CdI2",
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"energy_above_hull": 9.9999999999989e-05,
"spacegroup": 156
},
{
"id": "jvasp-29922",
"created_at": "2022-09-04T14:37:08.971670Z",
"updated_at": "2022-09-04T14:37:08.971695Z",
"structure_string": "Cd7 I14\n1.0\n4.286224 0.000000 0.000000\n-2.143112 3.711980 -0.000000\n0.000000 0.000000 48.144284\nCd I\n7 14\ndirect\n0.000000 0.000000 0.178565 Cd\n0.333333 0.666667 0.035695 Cd\n0.333333 0.666667 0.892866 Cd\n0.000000 0.000000 0.749972 Cd\n0.333333 0.666667 0.321428 Cd\n0.333333 0.666667 0.464258 Cd\n0.000000 0.000000 0.607151 Cd\n0.666667 0.333333 0.071729 I\n0.666667 0.333333 0.786009 I\n0.666667 0.333333 0.500298 I\n0.333333 0.666667 0.142569 I\n0.666667 0.333333 0.643173 I\n0.000000 0.000000 0.856861 I\n0.333333 0.666667 0.713971 I\n0.666667 0.333333 0.928890 I\n0.000000 0.000000 -0.000308 I\n0.333333 0.666667 0.571144 I\n0.000000 0.000000 0.428257 I\n0.666667 0.333333 0.214602 I\n0.666667 0.333333 0.357451 I\n0.000000 0.000000 0.285421 I\n",
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"elements": [
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"density": 5.557300755847888,
"density_atomic": 0.027415367450174175,
"volume": 765.9937455941916,
"volume_molar": 21.966295986894536,
"formula_full": "Cd7 I14",
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"formula_anonymous": "AB2",
"energy_above_hull": 9.666666666668931e-05,
"spacegroup": 156
},
{
"id": "jvasp-29669",
"created_at": "2022-09-04T14:37:03.839779Z",
"updated_at": "2022-09-04T14:37:03.839799Z",
"structure_string": "Cd7 I14\n1.0\n4.286250 0.000000 -0.000000\n-2.143124 3.712001 -0.000000\n-0.000000 -0.000000 48.104887\nCd I\n7 14\ndirect\n0.666667 0.333333 0.035749 Cd\n0.333334 0.666667 0.607115 Cd\n0.333334 0.666667 0.892834 Cd\n0.333334 0.666667 0.749979 Cd\n0.333334 0.666667 0.178639 Cd\n0.333334 0.666667 0.464293 Cd\n0.333334 0.666667 0.321424 Cd\n0.000000 0.000000 0.713939 I\n0.000000 0.000000 0.571072 I\n0.666667 0.333333 0.786012 I\n0.666667 0.333333 0.500331 I\n0.000000 0.000000 0.999692 I\n0.666667 0.333333 0.643155 I\n0.333334 0.666667 0.071771 I\n0.666667 0.333333 0.928867 I\n0.000000 0.000000 0.856791 I\n0.666667 0.333333 0.357461 I\n0.666667 0.333333 0.214662 I\n0.000000 0.000000 0.142583 I\n0.000000 0.000000 0.428247 I\n0.000000 0.000000 0.285382 I\n",
"nsites": 21,
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"formula_full": "Cd7 I14",
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"spacegroup": 156
},
{
"id": "jvasp-29662",
"created_at": "2022-09-04T14:38:01.229163Z",
"updated_at": "2022-09-04T14:38:01.229184Z",
"structure_string": "Cd7 I14\n1.0\n4.286334 -0.000000 -0.000000\n-2.143167 3.712075 -0.000000\n0.000000 0.000000 48.150850\nCd I\n7 14\ndirect\n-0.000000 -0.000000 0.892818 Cd\n0.666666 0.333333 0.464291 Cd\n-0.000000 -0.000000 0.607153 Cd\n0.666666 0.333333 0.321421 Cd\n0.333333 0.666668 0.750040 Cd\n-0.000000 -0.000000 0.178546 Cd\n0.666666 0.333333 0.035701 Cd\n0.333333 0.666668 0.500320 I\n0.666666 0.333333 0.856809 I\n0.333333 0.666668 0.928835 I\n0.000000 0.000000 -0.000298 I\n0.333333 0.666668 0.643167 I\n-0.000000 -0.000000 0.428290 I\n-0.000000 -0.000000 0.786038 I\n0.333333 0.666668 0.214572 I\n0.666666 0.333333 0.714019 I\n0.333333 0.666668 0.071725 I\n0.666666 0.333333 0.142551 I\n0.666666 0.333333 0.571146 I\n0.333333 0.666668 0.357440 I\n-0.000000 -0.000000 0.285414 I\n",
"nsites": 21,
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"density": 5.556258147417019,
"density_atomic": 0.027410224037122642,
"volume": 766.137481093148,
"volume_molar": 21.97041786978465,
"formula_full": "Cd7 I14",
"formula_reduced": "CdI2",
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"spacegroup": 156
},
{
"id": "jvasp-29661",
"created_at": "2022-09-04T14:38:15.359182Z",
"updated_at": "2022-09-04T14:38:15.359218Z",
"structure_string": "Cd7 I14\n1.0\n4.286541 -0.000000 0.000000\n-2.143271 3.712254 0.000000\n-0.000000 0.000000 48.133097\nCd I\n7 14\ndirect\n0.666667 0.333333 0.321419 Cd\n0.666667 0.333333 0.464258 Cd\n0.000000 -0.000000 0.607160 Cd\n0.000000 -0.000000 0.749962 Cd\n0.666667 0.333333 0.892845 Cd\n0.666667 0.333333 0.178598 Cd\n0.666667 0.333333 0.035726 Cd\n0.333333 0.666666 0.500297 I\n0.333333 0.666666 0.928873 I\n0.333333 0.666666 0.786001 I\n-0.000000 0.000000 -0.000297 I\n0.333333 0.666666 0.643183 I\n0.000000 -0.000000 0.856833 I\n0.333333 0.666666 0.071749 I\n0.333333 0.666666 0.214622 I\n0.666667 0.333333 0.713954 I\n0.000000 -0.000000 0.428252 I\n0.666667 0.333333 0.571142 I\n0.000000 -0.000000 0.142579 I\n0.333333 0.666666 0.357442 I\n0.000000 -0.000000 0.285402 I\n",
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"elements": [
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"density": 5.5577710543720595,
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"volume": 765.9289272120465,
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"formula_full": "Cd7 I14",
"formula_reduced": "CdI2",
"formula_anonymous": "AB2",
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"spacegroup": 156
}
]
}