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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_reduced&page=1156",
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"results": [
{
"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",
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"density": 6.020156879352781,
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"volume": 62.62237168349365,
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"formula_full": "Si2 Mo1 As1",
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{
"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",
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{
"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,
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"elements": [
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"density": 6.104860296984659,
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"volume": 124.1238516552219,
"volume_molar": 8.305458959345614,
"formula_full": "Si6 Mo3",
"formula_reduced": "Si2Mo",
"formula_anonymous": "AB2",
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"spacegroup": 180
},
{
"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,
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"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-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": [
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"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-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,
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"elements": [
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"chemical_system": "Hg-O-Si",
"density": 8.695821836872081,
"density_atomic": 0.05726529511659035,
"volume": 261.93875312194706,
"volume_molar": 10.516213611995031,
"formula_full": "Si2 Hg6 O7",
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"formula_anonymous": "A2B6C7",
"energy_above_hull": 0.99599662,
"spacegroup": 12
},
{
"id": "jvasp-85508",
"created_at": "2022-09-04T14:35:42.869843Z",
"updated_at": "2022-09-04T14:35:42.869872Z",
"structure_string": "Si4 H4 O10\n1.0\n-3.243161 7.093933 1.784433\n3.106665 -7.509089 2.949878\n3.080188 7.490250 -3.083996\nSi H O\n4 4 10\ndirect\n0.654219 0.139425 0.717155 Si\n0.356979 0.880144 0.325852 Si\n0.844179 0.055065 0.017918 Si\n0.156335 0.958400 0.000217 Si\n0.140140 0.613421 0.484873 H\n0.667995 0.841886 0.647433 H\n0.464554 0.457156 0.657679 H\n0.166779 0.043701 0.325788 H\n0.308973 0.096263 0.462756 O\n0.730813 -0.049933 0.589809 O\n0.926966 0.518167 0.764610 O\n0.698913 0.069332 0.251478 O\n0.352220 0.847430 0.510624 O\n0.510412 0.175686 0.949323 O\n0.067220 0.051965 -0.027313 O\n0.576587 0.721385 0.786954 O\n0.069695 0.444404 0.102478 O\n0.116615 0.054561 0.251637 O\n",
"nsites": 18,
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"elements": [
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"H",
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"chemical_system": "H-O-Si",
"density": 2.167035146529355,
"density_atomic": 0.08499668427242876,
"volume": 211.77296684076467,
"volume_molar": 7.085147863766096,
"formula_full": "Si4 H4 O10",
"formula_reduced": "Si2H2O5",
"formula_anonymous": "A2B2C5",
"energy_above_hull": 2.846526077777777,
"spacegroup": 1
},
{
"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,
"nelements": 3,
"elements": [
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"H",
"O"
],
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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",
"energy_above_hull": 2.835403855555555,
"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,
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"elements": [
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"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",
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"spacegroup": 9
},
{
"id": "jvasp-13087",
"created_at": "2022-09-04T14:36:59.566231Z",
"updated_at": "2022-09-04T14:36:59.566259Z",
"structure_string": "Si4 C2 N8\n1.0\n4.599168 0.000000 -1.629013\n0.000000 5.490048 0.000000\n0.046795 0.000000 7.439004\nSi C N\n4 2 8\ndirect\n0.232220 0.595833 0.596298 Si\n0.635920 0.404167 0.403702 Si\n0.732220 0.904167 0.596299 Si\n0.135920 0.095833 0.403702 Si\n0.485637 0.500000 0.000000 C\n0.985637 0.000000 0.000000 C\n0.405777 0.524317 0.828828 N\n0.576949 0.475683 0.171173 N\n0.360549 0.874665 0.545597 N\n0.814952 0.125335 0.454403 N\n0.860550 0.625336 0.545597 N\n0.314952 0.374665 0.454403 N\n0.076949 0.024317 0.171172 N\n0.905777 0.975683 0.828828 N\n",
"nsites": 14,
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"elements": [
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"C",
"N"
],
"chemical_system": "C-N-Si",
"density": 2.1912586219488746,
"density_atomic": 0.07436888383041433,
"volume": 188.25077477194137,
"volume_molar": 8.097661884683484,
"formula_full": "Si4 C2 N8",
"formula_reduced": "Si2CN4",
"formula_anonymous": "AB2C4",
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"spacegroup": 41
},
{
"id": "jvasp-39094",
"created_at": "2022-09-04T14:38:01.448023Z",
"updated_at": "2022-09-04T14:38:01.448040Z",
"structure_string": "Si2 B2 O5\n1.0\n3.412691 0.000000 -0.000000\n0.000000 3.412691 0.000000\n-0.000000 0.000000 6.815687\nSi B O\n2 2 5\ndirect\n0.000000 0.000000 0.000000 Si\n0.000000 0.000000 0.500000 Si\n0.500000 0.500000 0.288759 B\n0.500000 0.500000 0.711241 B\n0.500000 0.000000 0.233587 O\n0.500000 0.000000 0.766413 O\n0.500000 0.500000 0.500000 O\n0.000000 0.500000 0.233587 O\n0.000000 0.500000 0.766413 O\n",
"nsites": 9,
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"density": 3.3008440127908836,
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"volume": 79.37862507391785,
"volume_molar": 5.311436150337763,
"formula_full": "Si2 B2 O5",
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"formula_anonymous": "A2B2C5",
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"spacegroup": 123
},
{
"id": "jvasp-75873",
"created_at": "2022-09-04T14:35:47.018323Z",
"updated_at": "2022-09-04T14:35:47.018352Z",
"structure_string": "Si2 As1 W1\n1.0\n0.000000 3.150646 3.150646\n3.150646 0.000000 3.150646\n3.150646 3.150646 0.000000\nSi As W\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Si\n0.250000 0.250000 0.250000 Si\n0.500001 0.500001 0.500001 As\n0.750001 0.750001 0.750001 W\n",
"nsites": 4,
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"density": 8.360608588838362,
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"volume": 62.55021749781157,
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"formula_full": "Si2 As1 W1",
"formula_reduced": "Si2AsW",
"formula_anonymous": "ABC2",
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"spacegroup": 216
}
]
}