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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-elements&page=4429",
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{
"id": "jvasp-8043",
"created_at": "2022-09-04T14:37:09.958596Z",
"updated_at": "2022-09-04T14:37:09.958608Z",
"structure_string": "Cd1 S1\n1.0\n3.360719 0.000000 1.940312\n1.120240 3.168516 1.940312\n0.000000 0.000000 3.880624\nCd S\n1 1\ndirect\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500001 0.499999 S\n",
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"elements": [
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"volume": 41.322793320215474,
"volume_molar": 12.442583898536268,
"formula_full": "Cd1 S1",
"formula_reduced": "CdS",
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"energy_above_hull": 0.0368299999999999,
"spacegroup": 225
},
{
"id": "jvasp-28393",
"created_at": "2022-09-04T14:36:52.163199Z",
"updated_at": "2022-09-04T14:36:52.163229Z",
"structure_string": "Cd1 S1\n1.0\n4.157742 0.000000 -0.000000\n-2.078872 3.600710 -0.000000\n-0.000000 0.000000 3.965360\nCd S\n1 1\ndirect\n0.666667 0.333333 0.516454 Cd\n0.333333 0.666667 0.360546 S\n",
"nsites": 2,
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"volume": 59.36470347174215,
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"energy_above_hull": 0.155935,
"spacegroup": 156
},
{
"id": "jvasp-95",
"created_at": "2022-09-04T14:37:42.971596Z",
"updated_at": "2022-09-04T14:37:42.971626Z",
"structure_string": "Cd2 S2\n1.0\n2.088763 -3.617842 0.000000\n2.088763 3.617842 0.000000\n0.000000 0.000000 6.819638\nCd S\n2 2\ndirect\n0.666666 0.333332 0.500710 Cd\n0.333332 0.666666 0.000709 Cd\n0.666666 0.333332 0.876291 S\n0.333332 0.666666 0.376291 S\n",
"nsites": 4,
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"elements": [
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"density": 4.655268369203586,
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"volume": 103.0694787751386,
"volume_molar": 15.517472731092928,
"formula_full": "Cd2 S2",
"formula_reduced": "CdS",
"formula_anonymous": "AB",
"energy_above_hull": 0.0001299999999999,
"spacegroup": 186
},
{
"id": "jvasp-8003",
"created_at": "2022-09-04T14:37:04.834829Z",
"updated_at": "2022-09-04T14:37:04.834852Z",
"structure_string": "Cd1 S1\n1.0\n3.616657 -0.000000 2.088078\n1.205553 3.409817 2.088078\n0.000000 0.000000 4.176156\nCd S\n1 1\ndirect\n0.000000 0.000000 0.000000 Cd\n0.250000 0.250000 0.250000 S\n",
"nsites": 2,
"nelements": 2,
"elements": [
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"S"
],
"chemical_system": "Cd-S",
"density": 4.658324077760681,
"density_atomic": 0.03883424694989694,
"volume": 51.50093428051674,
"volume_molar": 15.507293775439058,
"formula_full": "Cd1 S1",
"formula_reduced": "CdS",
"formula_anonymous": "AB",
"energy_above_hull": 0.0,
"spacegroup": 216
},
{
"id": "jvasp-39937",
"created_at": "2022-09-04T14:37:47.660817Z",
"updated_at": "2022-09-04T14:37:47.660834Z",
"structure_string": "Cd1 Pt3\n1.0\n4.042729 -0.000000 0.000000\n0.000000 4.042729 0.000000\n-0.000000 -0.000000 4.042729\nCd Pt\n1 3\ndirect\n0.000000 0.000000 0.000000 Cd\n0.000000 0.500000 0.500000 Pt\n0.500000 0.000000 0.500000 Pt\n0.500000 0.500000 0.000000 Pt\n",
"nsites": 4,
"nelements": 2,
"elements": [
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"Pt"
],
"chemical_system": "Cd-Pt",
"density": 17.533592104572342,
"density_atomic": 0.06053911972895156,
"volume": 66.07297922250898,
"volume_molar": 9.94751953276261,
"formula_full": "Cd1 Pt3",
"formula_reduced": "CdPt3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.717829266666667,
"spacegroup": 221
},
{
"id": "jvasp-79631",
"created_at": "2022-09-04T14:37:17.357087Z",
"updated_at": "2022-09-04T14:37:17.357112Z",
"structure_string": "Cd1 Pt3\n1.0\n0.000000 0.000000 2.862771\n3.949581 2.913486 0.000000\n-3.949581 2.913486 0.000000\nCd Pt\n1 3\ndirect\n0.000000 0.000000 0.000000 Cd\n0.000000 0.500001 0.500001 Pt\n0.500000 0.500000 0.000000 Pt\n0.500000 0.000000 0.500000 Pt\n",
"nsites": 4,
"nelements": 2,
"elements": [
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"Pt"
],
"chemical_system": "Cd-Pt",
"density": 17.583860241145892,
"density_atomic": 0.06071268306499974,
"volume": 65.8840920556509,
"volume_molar": 9.919081905098187,
"formula_full": "Cd1 Pt3",
"formula_reduced": "CdPt3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.7155817666666673,
"spacegroup": 65
},
{
"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-19619",
"created_at": "2022-09-04T14:38:33.267740Z",
"updated_at": "2022-09-04T14:38:33.267767Z",
"structure_string": "Cd2 Pt2\n1.0\n3.905969 -0.000000 0.000000\n0.000000 4.235363 0.000000\n0.000000 0.000000 4.235363\nCd Pt\n2 2\ndirect\n0.000000 0.000000 0.000000 Cd\n0.000000 0.500000 0.500000 Cd\n0.500000 0.000000 0.500000 Pt\n0.500000 0.500000 0.000000 Pt\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Cd",
"Pt"
],
"chemical_system": "Cd-Pt",
"density": 14.574950306549425,
"density_atomic": 0.05708866963454888,
"volume": 70.06644270405774,
"volume_molar": 10.548749512907767,
"formula_full": "Cd2 Pt2",
"formula_reduced": "CdPt",
"formula_anonymous": "AB",
"energy_above_hull": 0.6235621333333332,
"spacegroup": 123
},
{
"id": "jvasp-19813",
"created_at": "2022-09-04T14:37:41.889866Z",
"updated_at": "2022-09-04T14:37:41.889891Z",
"structure_string": "Cd2 Pd2\n1.0\n3.737457 0.000000 -0.000000\n0.000000 4.312833 0.000000\n0.000000 0.000000 4.312833\nCd Pd\n2 2\ndirect\n0.000000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 0.000000 Pd\n0.500000 0.000000 0.500000 Pd\n",
"nsites": 4,
"nelements": 2,
"elements": [
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"Pd"
],
"chemical_system": "Cd-Pd",
"density": 10.454095174495883,
"density_atomic": 0.05753849562539789,
"volume": 69.51867539328526,
"volume_molar": 10.466281216677805,
"formula_full": "Cd2 Pd2",
"formula_reduced": "CdPd",
"formula_anonymous": "AB",
"energy_above_hull": 0.4280768999999999,
"spacegroup": 123
},
{
"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",
"energy_above_hull": 0.0,
"spacegroup": 139
},
{
"id": "jvasp-39901",
"created_at": "2022-09-04T14:37:46.366504Z",
"updated_at": "2022-09-04T14:37:46.366531Z",
"structure_string": "Cd1 Pd3\n1.0\n-2.019123 2.019123 3.993371\n2.019123 -2.019123 3.993371\n2.019123 2.019123 -3.993371\nCd Pd\n1 3\ndirect\n0.000000 0.000000 0.000000 Cd\n0.750001 0.250000 0.500001 Pd\n0.250000 0.750001 0.500001 Pd\n0.500000 0.500000 0.000000 Pd\n",
"nsites": 4,
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"elements": [
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],
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"density": 11.007197727378937,
"density_atomic": 0.06142353237566146,
"volume": 65.12162106757906,
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"formula_full": "Cd1 Pd3",
"formula_reduced": "CdPd3",
"formula_anonymous": "AB3",
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"spacegroup": 139
},
{
"id": "jvasp-100154",
"created_at": "2022-09-04T14:36:53.583624Z",
"updated_at": "2022-09-04T14:36:53.583651Z",
"structure_string": "Cd1 Pd3\n1.0\n4.022728 -0.000000 0.000000\n0.000000 4.022728 -0.000000\n-0.000000 -0.000000 4.022728\nCd Pd\n1 3\ndirect\n0.000000 0.000000 0.000000 Cd\n0.000000 0.500000 0.500000 Pd\n0.500000 0.000000 0.500000 Pd\n0.500000 0.500000 0.000000 Pd\n",
"nsites": 4,
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"elements": [
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"density": 11.01133475184312,
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"volume": 65.09715448422877,
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"formula_full": "Cd1 Pd3",
"formula_reduced": "CdPd3",
"formula_anonymous": "AB3",
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"spacegroup": 221
}
]
}