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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_reduced&page=3490",
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"results": [
{
"id": "jvasp-85506",
"created_at": "2022-09-04T14:36:09.637440Z",
"updated_at": "2022-09-04T14:36:09.637469Z",
"structure_string": "Si4 H4 O10\n1.0\n-2.966908 7.440828 2.497535\n2.966908 -7.440828 2.497535\n3.035813 7.472229 -2.497535\nSi H O\n4 4 10\ndirect\n0.573208 0.073589 0.690707 Si\n0.382882 0.882501 0.309292 Si\n0.858083 0.055885 0.007649 Si\n0.048236 0.850433 -0.007649 Si\n0.426302 0.550768 0.441571 H\n0.109196 -0.015272 0.558428 H\n0.754422 0.889108 0.678151 H\n0.210957 0.076271 0.321849 H\n0.246082 0.017088 0.435192 O\n0.581897 0.810890 0.564808 O\n0.853334 0.460931 0.887966 O\n0.572967 0.965368 0.112034 O\n0.589570 0.089569 0.500000 O\n0.285057 0.955168 0.815516 O\n0.845852 0.845852 0.000000 O\n0.872808 0.936763 0.738557 O\n0.139652 0.469541 0.184484 O\n0.198205 0.134249 0.261442 O\n",
"nsites": 18,
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"elements": [
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],
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"density": 2.052676706067422,
"density_atomic": 0.08051125251863482,
"volume": 223.5712330501105,
"volume_molar": 7.479874640636276,
"formula_full": "Si4 H4 O10",
"formula_reduced": "Si2H2O5",
"formula_anonymous": "A2B2C5",
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"spacegroup": 5
},
{
"id": "jvasp-85507",
"created_at": "2022-09-04T14:36:16.074506Z",
"updated_at": "2022-09-04T14:36:16.074531Z",
"structure_string": "Si4 H4 O10\n1.0\n-2.774550 8.452673 3.775737\n2.774550 -7.598499 1.165384\n2.774550 7.598499 -1.165384\nSi H O\n4 4 10\ndirect\n0.415944 -0.092756 0.687486 Si\n0.439113 0.947551 0.306198 Si\n0.939113 0.132915 -0.008439 Si\n-0.084058 0.728457 0.008701 Si\n0.627263 0.742345 0.465957 H\n0.382601 0.307404 0.567239 H\n0.882601 0.815362 0.575196 H\n0.127263 0.161307 0.384920 H\n0.525512 0.320384 0.462652 O\n0.453319 0.657129 0.542546 O\n0.608799 0.318310 0.934851 O\n0.634223 0.930992 0.057551 O\n0.469955 0.957044 0.487489 O\n0.108798 0.673948 0.790489 O\n0.969955 0.982466 0.012911 O\n0.025512 0.062858 0.705128 O\n0.134223 0.576672 0.203231 O\n-0.046680 -0.089226 0.296190 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Si",
"H",
"O"
],
"chemical_system": "H-O-Si",
"density": 2.145833829642472,
"density_atomic": 0.08416511417054086,
"volume": 213.8653309912611,
"volume_molar": 7.155150705074248,
"formula_full": "Si4 H4 O10",
"formula_reduced": "Si2H2O5",
"formula_anonymous": "A2B2C5",
"energy_above_hull": 2.8362794111111107,
"spacegroup": 9
},
{
"id": "jvasp-12943",
"created_at": "2022-09-04T14:36:58.496349Z",
"updated_at": "2022-09-04T14:36:58.496368Z",
"structure_string": "Si2 Hg6 O7\n1.0\n5.865643 -0.018407 1.884829\n1.372094 6.319115 2.917438\n0.010528 0.071985 7.093659\nSi Hg O\n2 6 7\ndirect\n0.102248 0.353223 0.353224 Si\n0.897751 0.646776 0.646777 Si\n0.415982 0.876734 0.355155 Hg\n0.584017 0.644845 0.123266 Hg\n0.584018 0.123265 0.644846 Hg\n0.415982 0.355154 0.876735 Hg\n0.048208 0.885212 0.885213 Hg\n0.951791 0.114787 0.114788 Hg\n-0.000000 0.500000 0.500000 O\n0.260929 0.128708 0.485627 O\n0.739070 0.514373 0.871293 O\n0.739070 0.871292 0.514374 O\n0.260929 0.485627 0.128708 O\n0.121252 0.693276 0.693276 O\n0.878747 0.306724 0.306725 O\n",
"nsites": 15,
"nelements": 3,
"elements": [
"Si",
"Hg",
"O"
],
"chemical_system": "Hg-O-Si",
"density": 8.695821836872081,
"density_atomic": 0.05726529511659035,
"volume": 261.93875312194706,
"volume_molar": 10.516213611995031,
"formula_full": "Si2 Hg6 O7",
"formula_reduced": "Si2Hg6O7",
"formula_anonymous": "A2B6C7",
"energy_above_hull": 0.99599662,
"spacegroup": 12
},
{
"id": "jvasp-79285",
"created_at": "2022-09-04T14:37:12.622057Z",
"updated_at": "2022-09-04T14:37:12.622074Z",
"structure_string": "Si2 Hg1 Te1\n1.0\n-0.000000 3.569241 3.569241\n3.569241 0.000000 3.569241\n3.569241 3.569241 0.000000\nSi Hg Te\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Si\n0.250000 0.250000 0.250000 Si\n0.000000 0.000000 0.000000 Hg\n0.500000 0.500000 0.500000 Te\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Si",
"Hg",
"Te"
],
"chemical_system": "Hg-Si-Te",
"density": 7.01828171899941,
"density_atomic": 0.04398477516684068,
"volume": 90.94055806418052,
"volume_molar": 13.691421036386206,
"formula_full": "Si2 Hg1 Te1",
"formula_reduced": "Si2HgTe",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.5517898916666668,
"spacegroup": 225
},
{
"id": "jvasp-101429",
"created_at": "2022-09-04T14:36:41.303235Z",
"updated_at": "2022-09-04T14:36:41.303261Z",
"structure_string": "Si2 Ir1\n1.0\n3.521335 -0.000000 2.033043\n1.173778 3.319946 2.033043\n-0.000000 -0.000000 4.066087\nSi Ir\n2 1\ndirect\n0.250000 0.250000 0.250000 Si\n0.749999 0.750001 0.749999 Si\n0.000000 0.000000 0.000000 Ir\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Si",
"Ir"
],
"chemical_system": "Ir-Si",
"density": 8.676901713873692,
"density_atomic": 0.06311116901745292,
"volume": 47.53516765266022,
"volume_molar": 9.542115688483953,
"formula_full": "Si2 Ir1",
"formula_reduced": "Si2Ir",
"formula_anonymous": "AB2",
"energy_above_hull": 3.085889433333333,
"spacegroup": 225
},
{
"id": "jvasp-14970",
"created_at": "2022-09-04T14:35:49.016503Z",
"updated_at": "2022-09-04T14:35:49.016518Z",
"structure_string": "Si2 Mo1\n1.0\n3.031530 0.000000 -1.142981\n-0.430939 3.000744 -1.142981\n-0.007486 -0.008638 4.571900\nSi Mo\n2 1\ndirect\n0.664192 0.664192 0.328385 Si\n0.335806 0.335806 0.671614 Si\n0.000000 0.000000 0.000000 Mo\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Si",
"Mo"
],
"chemical_system": "Mo-Si",
"density": 6.082018171442515,
"density_atomic": 0.07223692477065183,
"volume": 41.53000711927911,
"volume_molar": 8.336651621203366,
"formula_full": "Si2 Mo1",
"formula_reduced": "Si2Mo",
"formula_anonymous": "AB2",
"energy_above_hull": 3.5121543666666657,
"spacegroup": 139
},
{
"id": "jvasp-8188",
"created_at": "2022-09-04T14:37:05.131263Z",
"updated_at": "2022-09-04T14:37:05.131276Z",
"structure_string": "Si6 Mo3\n1.0\n2.323271 -4.024023 0.000000\n2.323271 4.024023 -0.000000\n-0.000000 -0.000000 6.638423\nSi Mo\n6 3\ndirect\n0.164147 0.835853 0.833333 Si\n0.328295 0.164147 0.166667 Si\n0.835853 0.671705 0.500000 Si\n0.835853 0.164147 0.833333 Si\n0.671705 0.835853 0.166667 Si\n0.164147 0.328295 0.500000 Si\n0.500000 0.000000 0.500000 Mo\n0.000000 0.500000 0.166667 Mo\n0.500000 0.500000 0.833333 Mo\n",
"nsites": 9,
"nelements": 2,
"elements": [
"Si",
"Mo"
],
"chemical_system": "Mo-Si",
"density": 6.104860296984659,
"density_atomic": 0.0725082236812893,
"volume": 124.1238516552219,
"volume_molar": 8.305458959345614,
"formula_full": "Si6 Mo3",
"formula_reduced": "Si2Mo",
"formula_anonymous": "AB2",
"energy_above_hull": 3.5213776999999995,
"spacegroup": 180
},
{
"id": "jvasp-75502",
"created_at": "2022-09-04T14:36:16.649604Z",
"updated_at": "2022-09-04T14:36:16.649620Z",
"structure_string": "Si2 Mo1 As1\n1.0\n-0.000000 3.151857 3.151857\n3.151857 0.000000 3.151857\n3.151857 3.151857 -0.000000\nSi Mo As\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Si\n0.250000 0.250000 0.250000 Si\n0.750001 0.750001 0.750001 Mo\n0.500000 0.500000 0.500000 As\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Si",
"Mo",
"As"
],
"chemical_system": "As-Mo-Si",
"density": 6.020156879352781,
"density_atomic": 0.06387493626426069,
"volume": 62.62237168349365,
"volume_molar": 9.428018425075923,
"formula_full": "Si2 Mo1 As1",
"formula_reduced": "Si2MoAs",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.7798362124999993,
"spacegroup": 216
},
{
"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": [
"Si",
"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
},
{
"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,
"nelements": 3,
"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-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,
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"elements": [
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"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-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,
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"elements": [
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"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
}
]
}