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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_reduced&page=1155",
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"results": [
{
"id": "jvasp-93666",
"created_at": "2022-09-04T14:35:57.802576Z",
"updated_at": "2022-09-04T14:35:57.802593Z",
"structure_string": "Si4 Os2\n1.0\n0.000000 -3.041371 -0.000000\n3.821110 -1.520686 -2.130537\n3.837161 -1.520686 5.414546\nSi Os\n4 2\ndirect\n0.395631 0.313557 0.895185 Si\n0.604372 0.686443 0.104815 Si\n0.858333 0.754677 0.528659 Si\n0.141669 0.245323 0.471341 Si\n0.155714 0.891384 0.797192 Os\n0.844288 0.108616 0.202808 Os\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Si",
"Os"
],
"chemical_system": "Os-Si",
"density": 9.321456262669166,
"density_atomic": 0.0683460558861892,
"volume": 87.78853325481259,
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"formula_full": "Si4 Os2",
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{
"id": "jvasp-40636",
"created_at": "2022-09-04T14:37:26.973476Z",
"updated_at": "2022-09-04T14:37:26.973501Z",
"structure_string": "Si4 O10\n1.0\n-3.008464 6.344778 2.516483\n3.008464 -6.344778 2.516483\n3.008464 6.344778 -2.516483\nSi O\n4 10\ndirect\n0.566606 0.052919 0.719018 Si\n0.333900 0.847586 0.280981 Si\n0.833901 0.052919 0.986313 Si\n0.066605 0.847586 0.013686 Si\n0.497559 0.997558 0.499999 O\n0.997558 0.997558 0.000000 O\n0.278585 0.828673 0.817065 O\n0.011607 0.461518 0.182934 O\n0.511607 0.828673 0.050088 O\n0.778586 0.461518 0.949911 O\n0.722806 0.918625 0.580793 O\n0.337834 0.142013 0.419206 O\n0.837833 0.918625 0.695820 O\n0.222806 0.142013 0.304180 O\n",
"nsites": 14,
"nelements": 2,
"elements": [
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"O"
],
"chemical_system": "O-Si",
"density": 2.353633894357978,
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"volume": 192.1388744127238,
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"formula_full": "Si4 O10",
"formula_reduced": "Si2O5",
"formula_anonymous": "A2B5",
"energy_above_hull": 2.6731521,
"spacegroup": 46
},
{
"id": "jvasp-78526",
"created_at": "2022-09-04T14:37:12.140293Z",
"updated_at": "2022-09-04T14:37:12.140302Z",
"structure_string": "Si2 O1\n1.0\n-2.304434 -2.989415 0.889980\n-1.436692 2.488423 -0.000000\n0.834756 0.481948 -4.563646\nSi O\n2 1\ndirect\n0.703510 0.351754 0.932809 Si\n0.426913 0.713455 0.214135 Si\n0.536175 0.268087 0.513057 O\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Si",
"O"
],
"chemical_system": "O-Si",
"density": 2.767379766675821,
"density_atomic": 0.06927584091424052,
"volume": 43.30514015288283,
"volume_molar": 8.692988321072942,
"formula_full": "Si2 O1",
"formula_reduced": "Si2O",
"formula_anonymous": "AB2",
"energy_above_hull": 2.348370233333333,
"spacegroup": 8
},
{
"id": "jvasp-35498",
"created_at": "2022-09-04T14:37:30.646103Z",
"updated_at": "2022-09-04T14:37:30.646129Z",
"structure_string": "Si2 Ni1 Se4\n1.0\n-0.000000 3.517008 0.000000\n0.353965 0.000000 6.422996\n6.039959 -1.758503 -2.686732\nSi Ni Se\n2 1 4\ndirect\n0.266683 0.282271 0.533365 Si\n0.733318 0.717730 0.466635 Si\n0.000000 0.000000 0.000000 Ni\n0.125541 0.470521 0.251081 Se\n0.874460 0.529480 0.748919 Se\n0.378673 0.015842 0.757342 Se\n0.621329 0.984158 0.242657 Se\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Si",
"Ni",
"Se"
],
"chemical_system": "Ni-Se-Si",
"density": 5.116412341090199,
"density_atomic": 0.050076638920860665,
"volume": 139.78573943555898,
"volume_molar": 12.025848558880273,
"formula_full": "Si2 Ni1 Se4",
"formula_reduced": "Si2NiSe4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.077627580952381,
"spacegroup": 12
},
{
"id": "jvasp-100354",
"created_at": "2022-09-04T14:36:38.071170Z",
"updated_at": "2022-09-04T14:36:38.071190Z",
"structure_string": "Si4 Ni2 Pd2\n1.0\n3.412091 0.000000 0.000000\n0.000000 5.457503 0.000000\n0.000000 0.000000 5.945829\nSi Ni Pd\n4 2 2\ndirect\n0.500000 0.321774 0.692597 Si\n0.500000 0.821773 0.307403 Si\n0.000000 0.682551 0.848817 Si\n0.000000 0.182552 0.151183 Si\n0.500000 0.494579 0.053268 Ni\n0.500000 0.994579 0.946732 Ni\n0.000000 0.501095 0.434067 Pd\n0.000000 0.001095 0.565933 Pd\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Si",
"Ni",
"Pd"
],
"chemical_system": "Ni-Pd-Si",
"density": 6.637474845666917,
"density_atomic": 0.07225418118110243,
"volume": 110.7202361057597,
"volume_molar": 8.334660585116488,
"formula_full": "Si4 Ni2 Pd2",
"formula_reduced": "Si2NiPd",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.130548825,
"spacegroup": 26
},
{
"id": "jvasp-18508",
"created_at": "2022-09-04T14:36:53.524116Z",
"updated_at": "2022-09-04T14:36:53.524142Z",
"structure_string": "Si2 Ni1 P3\n1.0\n3.412471 -0.000000 -0.974216\n-0.633334 4.812804 -2.218434\n-0.004743 0.011757 6.447073\nSi Ni P\n2 1 3\ndirect\n0.835041 0.077910 0.670081 Si\n0.164960 0.407828 0.329918 Si\n0.500001 0.753174 0.000000 Ni\n0.000001 0.994388 0.000001 P\n0.338081 0.349728 0.676158 P\n0.661921 0.673570 0.323842 P\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Si",
"Ni",
"P"
],
"chemical_system": "Ni-P-Si",
"density": 3.256353134806637,
"density_atomic": 0.05662627871926567,
"volume": 105.95787213470291,
"volume_molar": 10.634887010421044,
"formula_full": "Si2 Ni1 P3",
"formula_reduced": "Si2NiP3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 2.953912683333334,
"spacegroup": 44
},
{
"id": "jvasp-15432",
"created_at": "2022-09-04T14:35:55.921215Z",
"updated_at": "2022-09-04T14:35:55.921237Z",
"structure_string": "Si2 Ni6 B1\n1.0\n3.058774 -5.297952 0.000000\n3.058774 5.297952 -0.000000\n-0.000000 -0.000000 2.899640\nSi Ni B\n2 6 1\ndirect\n0.333332 0.666666 0.000000 Si\n0.666666 0.333332 0.000000 Si\n0.756084 0.756084 0.000000 Ni\n-0.000000 0.243915 0.000000 Ni\n0.389707 0.389707 0.500000 Ni\n-0.000000 0.610292 0.500000 Ni\n0.243915 -0.000000 0.000000 Ni\n0.610292 -0.000000 0.500000 Ni\n0.000000 0.000000 0.500000 B\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Si",
"Ni",
"B"
],
"chemical_system": "B-Ni-Si",
"density": 7.405957343592334,
"density_atomic": 0.09576636923626264,
"volume": 93.97871164768021,
"volume_molar": 6.28836699984202,
"formula_full": "Si2 Ni6 B1",
"formula_reduced": "Si2Ni6B",
"formula_anonymous": "AB2C6",
"energy_above_hull": 2.183651575925926,
"spacegroup": 189
},
{
"id": "jvasp-20658",
"created_at": "2022-09-04T14:38:10.450564Z",
"updated_at": "2022-09-04T14:38:10.450591Z",
"structure_string": "Si2 Ni1\n1.0\n3.352918 -0.000000 1.935808\n1.117639 3.161162 1.935808\n-0.000000 0.000000 3.871616\nSi Ni\n2 1\ndirect\n0.750001 0.750000 0.750001 Si\n0.250000 0.250000 0.250000 Si\n0.000000 0.000000 0.000000 Ni\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Si",
"Ni"
],
"chemical_system": "Ni-Si",
"density": 4.648069196612537,
"density_atomic": 0.07310705572978404,
"volume": 41.0357108496956,
"volume_molar": 8.237427564117535,
"formula_full": "Si2 Ni1",
"formula_reduced": "Si2Ni",
"formula_anonymous": "AB2",
"energy_above_hull": 2.0758165333333327,
"spacegroup": 225
},
{
"id": "jvasp-20751",
"created_at": "2022-09-04T14:37:36.978314Z",
"updated_at": "2022-09-04T14:37:36.978334Z",
"structure_string": "Si2 Ni1\n1.0\n3.352918 0.000000 1.935809\n1.117639 3.161162 1.935809\n-0.000000 -0.000000 3.871617\nSi Ni\n2 1\ndirect\n0.750001 0.749999 0.750001 Si\n0.250000 0.250000 0.250000 Si\n0.000000 0.000000 0.000000 Ni\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Si",
"Ni"
],
"chemical_system": "Ni-Si",
"density": 4.648067996062689,
"density_atomic": 0.07310703684696176,
"volume": 41.03572144881257,
"volume_molar": 8.23742969176335,
"formula_full": "Si2 Ni1",
"formula_reduced": "Si2Ni",
"formula_anonymous": "AB2",
"energy_above_hull": 2.0758165333333327,
"spacegroup": 225
},
{
"id": "jvasp-60063",
"created_at": "2022-09-04T14:37:33.242186Z",
"updated_at": "2022-09-04T14:37:33.242204Z",
"structure_string": "Si16 N16 O8\n1.0\n5.360716 0.000000 -1.226025\n-0.280399 5.353377 -1.226025\n-0.002899 -0.003054 12.320029\nSi N O\n16 16 8\ndirect\n0.000000 0.000000 0.000000 Si\n0.500000 0.000000 0.500000 Si\n0.500000 -0.000000 -0.000000 Si\n0.956112 0.206112 0.412222 Si\n0.706112 0.456113 0.912222 Si\n0.043888 0.793889 0.587777 Si\n0.293888 0.543889 0.087777 Si\n0.331890 0.332104 0.664206 Si\n0.832104 0.831890 0.164206 Si\n0.832104 0.332318 0.164206 Si\n0.167682 0.667897 0.335793 Si\n0.668111 0.667897 0.335793 Si\n0.167897 0.667683 0.835793 Si\n0.167897 0.168111 0.835793 Si\n0.832318 0.332104 0.664206 Si\n0.500000 0.500001 0.500000 Si\n0.262426 0.749396 0.498790 N\n0.087201 0.573880 0.674402 N\n0.249396 0.762427 0.998790 N\n0.399477 0.412800 0.825597 N\n0.249396 0.236366 0.998790 N\n0.263635 0.250605 0.501209 N\n0.736366 0.749396 0.498790 N\n0.750605 0.763635 0.001209 N\n0.912799 0.899478 0.325597 N\n0.912799 0.426121 0.325597 N\n0.073879 0.587202 0.174402 N\n0.600523 0.587202 0.174402 N\n0.750605 0.237574 0.001209 N\n0.087201 0.100524 0.674403 N\n0.926121 0.412800 0.825597 N\n0.737574 0.250605 0.501209 N\n0.576535 0.541464 0.653068 O\n0.958537 0.923467 0.846931 O\n0.423466 0.458537 0.346931 O\n0.423466 0.888396 0.346931 O\n0.611606 0.076534 0.153068 O\n0.576535 0.111606 0.653068 O\n0.041463 0.076534 0.153069 O\n0.388395 0.923467 0.846931 O\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Si",
"N",
"O"
],
"chemical_system": "N-O-Si",
"density": 3.764640814994613,
"density_atomic": 0.11314801847490992,
"volume": 353.51922675402244,
"volume_molar": 5.322356362197702,
"formula_full": "Si16 N16 O8",
"formula_reduced": "Si2N2O",
"formula_anonymous": "AB2C2",
"energy_above_hull": 3.73209344,
"spacegroup": 141
},
{
"id": "jvasp-9603",
"created_at": "2022-09-04T14:37:58.149874Z",
"updated_at": "2022-09-04T14:37:58.149907Z",
"structure_string": "Si4 N4 O2\n1.0\n4.893879 -0.000000 0.000000\n0.000000 4.712626 -2.349608\n0.000000 -0.013274 5.265865\nSi N O\n4 4 2\ndirect\n0.728762 0.024405 0.671499 Si\n0.228762 0.975597 0.328500 Si\n0.228762 0.328502 0.975595 Si\n0.728762 0.671500 0.024404 Si\n0.383528 0.092728 0.658982 N\n0.883528 0.907274 0.341017 N\n0.883528 0.341018 0.907272 N\n0.383528 0.658983 0.092727 N\n0.782700 0.783899 0.783897 O\n0.282699 0.216103 0.216102 O\n",
"nsites": 10,
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"elements": [
"Si",
"N",
"O"
],
"chemical_system": "N-O-Si",
"density": 2.7430696369109797,
"density_atomic": 0.08244422488300841,
"volume": 121.29412356281343,
"volume_molar": 7.304502854560951,
"formula_full": "Si4 N4 O2",
"formula_reduced": "Si2N2O",
"formula_anonymous": "AB2C2",
"energy_above_hull": 3.69878744,
"spacegroup": 36
},
{
"id": "jvasp-9840",
"created_at": "2022-09-04T14:38:09.649405Z",
"updated_at": "2022-09-04T14:38:09.649443Z",
"structure_string": "Si4 Mo2 O12\n1.0\n5.226024 0.121577 1.208086\n1.415580 6.418691 0.655216\n0.189476 0.023723 6.602749\nSi Mo O\n4 2 12\ndirect\n0.233777 0.218110 0.392606 Si\n0.266228 0.607393 0.781889 Si\n0.733777 0.392606 0.218111 Si\n0.766229 0.781889 0.607394 Si\n0.249999 0.093726 0.906272 Mo\n0.749998 0.906273 0.093726 Mo\n0.649671 0.953157 0.798456 O\n0.850324 0.201546 0.046842 O\n0.697400 0.624456 0.103472 O\n0.802581 0.896533 0.375547 O\n0.302582 0.375545 0.896533 O\n0.548754 0.640824 0.639421 O\n0.951262 0.360595 0.359163 O\n0.350324 0.046841 0.201547 O\n0.048754 0.639419 0.640825 O\n0.451263 0.359163 0.360594 O\n0.197402 0.103470 0.624456 O\n0.149673 0.798455 0.953158 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
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"Mo",
"O"
],
"chemical_system": "Mo-O-Si",
"density": 3.7650118712986678,
"density_atomic": 0.082246995913384,
"volume": 218.85297815565409,
"volume_molar": 7.322019112214189,
"formula_full": "Si4 Mo2 O12",
"formula_reduced": "Si2MoO6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 3.2355649000000004,
"spacegroup": 15
}
]
}