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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_reduced&page=3494",
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"results": [
{
"id": "jvasp-39087",
"created_at": "2022-09-04T14:37:55.837081Z",
"updated_at": "2022-09-04T14:37:55.837105Z",
"structure_string": "Si3 Ge1\n1.0\n-0.000000 3.224091 3.224091\n3.224091 0.000000 3.224091\n3.224091 3.224091 0.000000\nSi Ge\n3 1\ndirect\n0.000000 0.000000 0.000000 Si\n0.500000 0.500000 0.500000 Si\n0.250001 0.250001 0.250001 Si\n0.750000 0.750000 0.750000 Ge\n",
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"volume": 67.02732222828517,
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{
"id": "jvasp-12058",
"created_at": "2022-09-04T14:37:04.133132Z",
"updated_at": "2022-09-04T14:37:04.133143Z",
"structure_string": "Si6 H2\n1.0\n-1.939104 -3.358626 0.000000\n-1.939139 3.358646 -0.000013\n-0.000036 0.000021 -11.374605\nSi H\n6 2\ndirect\n0.666666 0.333333 0.464546 Si\n0.333334 0.666667 0.535454 Si\n0.666662 0.333325 0.254296 Si\n0.333338 0.666675 0.745704 Si\n0.333323 0.666648 0.186629 Si\n0.666677 0.333352 0.813372 Si\n0.333335 0.666671 0.054110 H\n0.666665 0.333329 0.945890 H\n",
"nsites": 8,
"nelements": 2,
"elements": [
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"formula_full": "Si6 H2",
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"spacegroup": 164
},
{
"id": "jvasp-29215",
"created_at": "2022-09-04T14:37:46.534656Z",
"updated_at": "2022-09-04T14:37:46.534677Z",
"structure_string": "Si6 H2\n1.0\n-1.940327 -3.360744 0.000000\n1.940334 -3.360748 0.000030\n0.000087 -2.240546 11.275275\nSi H\n6 2\ndirect\n0.415966 0.415912 0.752157 Si\n0.584036 0.584088 0.247842 Si\n0.345243 0.345239 0.964276 Si\n0.654759 0.654760 0.035723 Si\n0.771987 0.771945 0.684084 Si\n0.228015 0.228054 0.315916 Si\n0.816470 0.816541 0.550520 H\n0.183532 0.183458 0.449479 H\n",
"nsites": 8,
"nelements": 2,
"elements": [
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],
"chemical_system": "H-Si",
"density": 1.9256567794133181,
"density_atomic": 0.054402872686821376,
"volume": 147.05105824196542,
"volume_molar": 11.069527145500922,
"formula_full": "Si6 H2",
"formula_reduced": "Si3H",
"formula_anonymous": "AB3",
"energy_above_hull": 2.99612895,
"spacegroup": 166
},
{
"id": "jvasp-37213",
"created_at": "2022-09-04T14:37:53.460948Z",
"updated_at": "2022-09-04T14:37:53.460979Z",
"structure_string": "Si3 H1\n1.0\n0.000000 2.945761 2.945761\n2.945761 -0.000000 2.945761\n2.945761 2.945761 0.000000\nSi H\n3 1\ndirect\n0.000000 0.000000 0.000000 Si\n0.500001 0.500001 0.500001 Si\n0.249999 0.249999 0.249999 Si\n0.749999 0.749999 0.749999 H\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Si",
"H"
],
"chemical_system": "H-Si",
"density": 2.769456331166942,
"density_atomic": 0.07824155467730312,
"volume": 51.123728516099504,
"volume_molar": 7.696857232499428,
"formula_full": "Si3 H1",
"formula_reduced": "Si3H",
"formula_anonymous": "AB3",
"energy_above_hull": 3.1697564499999995,
"spacegroup": 225
},
{
"id": "jvasp-56319",
"created_at": "2022-09-04T14:37:04.030056Z",
"updated_at": "2022-09-04T14:37:04.030087Z",
"structure_string": "Si6 Ir2\n1.0\n2.407084 -4.169191 0.000000\n2.407084 4.169191 -0.000000\n0.000000 0.000000 6.471293\nSi Ir\n6 2\ndirect\n0.666491 0.833244 0.580291 Si\n0.333507 0.166754 0.080291 Si\n0.833244 0.666491 0.080291 Si\n0.166754 0.833245 0.580291 Si\n0.833245 0.166754 0.080291 Si\n0.166754 0.333507 0.580291 Si\n0.666666 0.333332 0.758125 Ir\n0.333332 0.666666 0.258125 Ir\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Si",
"Ir"
],
"chemical_system": "Ir-Si",
"density": 7.069171314305768,
"density_atomic": 0.061592224536551034,
"volume": 129.88652480399557,
"volume_molar": 9.777436689961158,
"formula_full": "Si6 Ir2",
"formula_reduced": "Si3Ir",
"formula_anonymous": "AB3",
"energy_above_hull": 3.547576725,
"spacegroup": 186
},
{
"id": "jvasp-5707",
"created_at": "2022-09-04T14:37:09.251646Z",
"updated_at": "2022-09-04T14:37:09.251656Z",
"structure_string": "Si6 Ir2\n1.0\n2.201448 -3.813019 0.000000\n2.201448 3.813019 0.000000\n0.000000 0.000000 7.493070\nSi Ir\n6 2\ndirect\n0.333333 0.666667 0.915966 Si\n0.666667 0.333333 0.415966 Si\n0.000000 0.000000 0.250000 Si\n0.000000 0.000000 0.750000 Si\n0.333333 0.666667 0.584034 Si\n0.666667 0.333333 0.084034 Si\n0.666667 0.333333 0.750000 Ir\n0.333333 0.666667 0.250000 Ir\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Si",
"Ir"
],
"chemical_system": "Ir-Si",
"density": 7.299034514985062,
"density_atomic": 0.06359497496364544,
"volume": 125.79610267278606,
"volume_molar": 9.469522966936625,
"formula_full": "Si6 Ir2",
"formula_reduced": "Si3Ir",
"formula_anonymous": "AB3",
"energy_above_hull": 3.552869225,
"spacegroup": 194
},
{
"id": "jvasp-18538",
"created_at": "2022-09-04T14:37:00.985185Z",
"updated_at": "2022-09-04T14:37:00.985205Z",
"structure_string": "Si6 Ir2\n1.0\n2.201448 -3.813019 -0.000000\n2.201448 3.813019 -0.000000\n-0.000000 -0.000000 7.493070\nSi Ir\n6 2\ndirect\n0.333333 0.666667 0.915966 Si\n0.666667 0.333333 0.415966 Si\n0.000000 0.000000 0.250000 Si\n0.000000 0.000000 0.750000 Si\n0.333333 0.666667 0.584034 Si\n0.666667 0.333333 0.084034 Si\n0.666667 0.333333 0.750000 Ir\n0.333333 0.666667 0.250000 Ir\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Si",
"Ir"
],
"chemical_system": "Ir-Si",
"density": 7.299034514985062,
"density_atomic": 0.06359497496364544,
"volume": 125.79610267278606,
"volume_molar": 9.469522966936625,
"formula_full": "Si6 Ir2",
"formula_reduced": "Si3Ir",
"formula_anonymous": "AB3",
"energy_above_hull": 3.552869225,
"spacegroup": 194
},
{
"id": "jvasp-37240",
"created_at": "2022-09-04T14:37:56.487205Z",
"updated_at": "2022-09-04T14:37:56.487229Z",
"structure_string": "Si6 Mo2\n1.0\n2.633473 -4.561309 -0.000000\n2.633473 4.561309 0.000000\n-0.000000 -0.000000 4.881132\nSi Mo\n6 2\ndirect\n0.823324 0.646648 0.250000 Si\n0.353350 0.176675 0.250000 Si\n0.823324 0.176675 0.250000 Si\n0.176675 0.353350 0.750000 Si\n0.646648 0.823324 0.750000 Si\n0.176675 0.823324 0.750000 Si\n0.666666 0.333332 0.750000 Mo\n0.333332 0.666666 0.250000 Mo\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Si",
"Mo"
],
"chemical_system": "Mo-Si",
"density": 5.103363843202252,
"density_atomic": 0.06822147028134122,
"volume": 117.265136136886,
"volume_molar": 8.827339450711126,
"formula_full": "Si6 Mo2",
"formula_reduced": "Si3Mo",
"formula_anonymous": "AB3",
"energy_above_hull": 3.939192925,
"spacegroup": 194
},
{
"id": "jvasp-20140",
"created_at": "2022-09-04T14:37:32.693607Z",
"updated_at": "2022-09-04T14:37:32.693635Z",
"structure_string": "Si6 Mo10\n1.0\n4.643276 0.000000 1.672363\n2.321638 6.870356 0.836181\n-0.006451 0.000000 7.300065\nSi Mo\n6 10\ndirect\n0.832639 0.500000 0.834724 Si\n0.667363 0.165276 0.500000 Si\n0.332638 0.834725 0.500000 Si\n0.167363 0.500000 0.165275 Si\n0.750001 0.000000 -0.000000 Si\n0.250000 0.000000 -0.000000 Si\n0.275088 0.148190 0.301634 Mo\n0.724913 0.851811 0.698366 Mo\n0.423278 0.301634 0.851811 Mo\n0.576723 0.698366 0.148189 Mo\n0.923278 0.851811 0.301633 Mo\n0.224913 0.698366 0.851811 Mo\n0.775089 0.301634 0.148189 Mo\n0.076723 0.148190 0.698366 Mo\n0.750001 0.500000 0.500000 Mo\n0.250000 0.500000 0.500000 Mo\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Si",
"Mo"
],
"chemical_system": "Mo-Si",
"density": 8.039999609336824,
"density_atomic": 0.06868332486566407,
"volume": 232.9531954268956,
"volume_molar": 8.76798083345346,
"formula_full": "Si6 Mo10",
"formula_reduced": "Si3Mo5",
"formula_anonymous": "A3B5",
"energy_above_hull": 5.6895806625,
"spacegroup": 140
},
{
"id": "jvasp-37268",
"created_at": "2022-09-04T14:37:58.836668Z",
"updated_at": "2022-09-04T14:37:58.836694Z",
"structure_string": "Si6 Mo2 Pt4\n1.0\n3.524225 0.000000 0.000000\n0.000000 5.560296 0.000000\n0.000000 0.000000 9.288292\nSi Mo Pt\n6 2 4\ndirect\n0.499999 0.826447 0.434994 Si\n0.499999 0.814281 0.777322 Si\n0.000000 0.657117 0.126488 Si\n0.499999 0.326447 0.565006 Si\n0.499999 0.314281 0.222678 Si\n0.000000 0.157116 0.873512 Si\n0.000000 -0.001125 0.605283 Mo\n0.000000 0.498875 0.394717 Mo\n0.000000 -0.001153 0.285795 Pt\n0.499999 0.003134 0.029196 Pt\n0.000000 0.498848 0.714205 Pt\n0.499999 0.503134 0.970803 Pt\n",
"nsites": 12,
"nelements": 3,
"elements": [
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"Mo",
"Pt"
],
"chemical_system": "Mo-Pt-Si",
"density": 10.407206706935531,
"density_atomic": 0.06593011703488612,
"volume": 182.01090093091062,
"volume_molar": 9.13412721050299,
"formula_full": "Si6 Mo2 Pt4",
"formula_reduced": "Si3MoPt2",
"formula_anonymous": "AB2C3",
"energy_above_hull": 3.724365750000001,
"spacegroup": 26
},
{
"id": "jvasp-39526",
"created_at": "2022-09-04T14:37:41.034927Z",
"updated_at": "2022-09-04T14:37:41.034951Z",
"structure_string": "Si12 N8\n1.0\n6.713527 -0.000000 0.000000\n-0.000000 6.713527 -0.000000\n0.000000 -0.000000 6.713527\nSi N\n12 8\ndirect\n0.821627 0.821627 0.500000 Si\n0.178374 0.500000 0.178374 Si\n0.821627 0.500000 0.821627 Si\n0.821627 0.500000 0.178374 Si\n0.500000 0.821627 0.821627 Si\n0.500000 0.178374 0.178374 Si\n0.178374 0.500000 0.821627 Si\n0.500000 0.821627 0.178374 Si\n0.821627 0.178374 0.500000 Si\n0.178374 0.821627 0.500000 Si\n0.178374 0.178374 0.500000 Si\n0.500000 0.178374 0.821627 Si\n0.721131 0.278869 0.278869 N\n0.721132 0.721132 0.278869 N\n0.278869 0.278869 0.278869 N\n0.278869 0.721132 0.721132 N\n0.721132 0.278869 0.721132 N\n0.278869 0.278869 0.721131 N\n0.721131 0.721131 0.721131 N\n0.278869 0.721131 0.278869 N\n",
"nsites": 20,
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"elements": [
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"N"
],
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"density": 2.4644510985836416,
"density_atomic": 0.06609639545833812,
"volume": 302.5883614577197,
"volume_molar": 9.111148525180734,
"formula_full": "Si12 N8",
"formula_reduced": "Si3N2",
"formula_anonymous": "A2B3",
"energy_above_hull": 4.086160459999999,
"spacegroup": 221
},
{
"id": "jvasp-10793",
"created_at": "2022-09-04T14:38:04.699008Z",
"updated_at": "2022-09-04T14:38:04.699032Z",
"structure_string": "Si6 N8\n1.0\n5.304431 0.000000 -1.875399\n-2.652215 4.593771 -1.875399\n0.000000 0.000000 5.626198\nSi N\n6 8\ndirect\n0.750000 0.375000 0.625000 Si\n0.125001 0.875000 0.250000 Si\n0.375000 0.625000 0.750000 Si\n0.625001 0.750000 0.375000 Si\n0.875000 0.250000 0.125000 Si\n0.250000 0.125000 0.875000 Si\n0.062376 0.062376 0.062376 N\n0.937624 0.500000 -0.000000 N\n0.500000 -0.000000 0.937624 N\n0.000001 0.937624 0.500000 N\n0.500000 -0.000000 0.437624 N\n0.000000 0.437624 0.500000 N\n0.562376 0.562376 0.562376 N\n0.437624 0.500000 -0.000000 N\n",
"nsites": 14,
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"elements": [
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],
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"density": 3.3983015099485048,
"density_atomic": 0.10211860593122563,
"volume": 137.0954868834447,
"volume_molar": 5.897202282663126,
"formula_full": "Si6 N8",
"formula_reduced": "Si3N4",
"formula_anonymous": "A3B4",
"energy_above_hull": 4.7338041142857135,
"spacegroup": 220
}
]
}