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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-elements&page=3830",
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"results": [
{
"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,
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"elements": [
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"density": 6.082018171442515,
"density_atomic": 0.07223692477065183,
"volume": 41.53000711927911,
"volume_molar": 8.336651621203366,
"formula_full": "Si2 Mo1",
"formula_reduced": "Si2Mo",
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},
{
"id": "jvasp-39103",
"created_at": "2022-09-04T14:37:50.750682Z",
"updated_at": "2022-09-04T14:37:50.750703Z",
"structure_string": "Si1 Mo1\n1.0\n1.578997 -2.734902 -0.000000\n1.578997 2.734902 -0.000000\n-0.000000 0.000000 3.509984\nSi Mo\n1 1\ndirect\n0.333334 0.666668 0.000000 Si\n0.666668 0.333334 0.499999 Mo\n",
"nsites": 2,
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"elements": [
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"density": 6.793629805527501,
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"volume": 30.315044225258177,
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"formula_full": "Si1 Mo1",
"formula_reduced": "SiMo",
"formula_anonymous": "AB",
"energy_above_hull": 2.9316522499999995,
"spacegroup": 187
},
{
"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-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-19652",
"created_at": "2022-09-04T14:38:19.590601Z",
"updated_at": "2022-09-04T14:38:19.590617Z",
"structure_string": "Si2 Mo6\n1.0\n4.917917 0.000000 0.000000\n0.000000 4.917917 0.000000\n0.000000 0.000000 4.917917\nSi Mo\n2 6\ndirect\n0.500000 0.500000 0.500000 Si\n0.000000 0.000000 0.000000 Si\n0.000000 0.500000 0.250000 Mo\n0.000000 0.500000 0.750000 Mo\n0.500000 0.750000 0.000000 Mo\n0.500000 0.250000 0.000000 Mo\n0.750000 0.000000 0.500000 Mo\n0.250000 0.000000 0.500000 Mo\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Si",
"Mo"
],
"chemical_system": "Mo-Si",
"density": 8.820489671074299,
"density_atomic": 0.06725837997716665,
"volume": 118.94428623936373,
"volume_molar": 8.953740429139742,
"formula_full": "Si2 Mo6",
"formula_reduced": "SiMo3",
"formula_anonymous": "AB3",
"energy_above_hull": 5.203481575,
"spacegroup": 223
},
{
"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-20210",
"created_at": "2022-09-04T14:37:33.783110Z",
"updated_at": "2022-09-04T14:37:33.783129Z",
"structure_string": "Si2 Ir6\n1.0\n4.649093 -0.000000 -2.551502\n-1.400308 4.433193 -2.551502\n-0.003386 -0.004621 5.505137\nSi Ir\n2 6\ndirect\n0.249999 0.750000 0.500000 Si\n0.749999 0.250000 0.500000 Si\n0.249999 0.250000 0.500000 Ir\n0.749999 0.750000 0.500000 Ir\n0.183675 0.683675 -0.000000 Ir\n0.316324 0.183676 -0.000000 Ir\n0.683675 0.816323 -0.000000 Ir\n0.816323 0.316324 -0.000000 Ir\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Si",
"Ir"
],
"chemical_system": "Ir-Si",
"density": 17.71789326777848,
"density_atomic": 0.07057595978816658,
"volume": 113.3530457681619,
"volume_molar": 8.532849964882416,
"formula_full": "Si2 Ir6",
"formula_reduced": "SiIr3",
"formula_anonymous": "AB3",
"energy_above_hull": 4.165770475,
"spacegroup": 140
},
{
"id": "jvasp-103651",
"created_at": "2022-09-04T14:36:36.049576Z",
"updated_at": "2022-09-04T14:36:36.049587Z",
"structure_string": "Si2 Ir4\n1.0\n4.195084 0.000000 0.000000\n-2.097542 3.633050 0.000000\n-0.000000 0.000000 5.544569\nSi Ir\n2 4\ndirect\n0.333333 0.666667 0.250000 Si\n0.666666 0.333333 0.750000 Si\n0.333333 0.666667 0.750000 Ir\n0.666666 0.333333 0.250000 Ir\n0.000000 0.000000 0.000000 Ir\n0.000000 0.000000 0.500000 Ir\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Si",
"Ir"
],
"chemical_system": "Ir-Si",
"density": 16.21226698491866,
"density_atomic": 0.07100213724850876,
"volume": 84.50449849136079,
"volume_molar": 8.481633079469706,
"formula_full": "Si2 Ir4",
"formula_reduced": "SiIr2",
"formula_anonymous": "AB2",
"energy_above_hull": 3.5795102666666665,
"spacegroup": 194
},
{
"id": "jvasp-20090",
"created_at": "2022-09-04T14:35:46.255355Z",
"updated_at": "2022-09-04T14:35:46.255374Z",
"structure_string": "Si4 Ir4\n1.0\n3.415589 -0.000000 0.000000\n-0.000000 5.556173 0.000000\n0.000000 0.000000 6.215629\nSi Ir\n4 4\ndirect\n0.250000 0.682596 0.070834 Si\n0.750000 0.317404 0.929166 Si\n0.250000 0.182596 0.429166 Si\n0.750000 0.817403 0.570834 Si\n0.250000 0.499521 0.706160 Ir\n0.750000 0.500478 0.293840 Ir\n0.250000 -0.000478 0.793840 Ir\n0.750000 0.000478 0.206160 Ir\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Si",
"Ir"
],
"chemical_system": "Ir-Si",
"density": 12.405151260113433,
"density_atomic": 0.0678208981407938,
"volume": 117.95774192480144,
"volume_molar": 8.879476570036346,
"formula_full": "Si4 Ir4",
"formula_reduced": "SiIr",
"formula_anonymous": "AB",
"energy_above_hull": 2.27905485,
"spacegroup": 62
},
{
"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-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": [
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"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-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": [
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"density": 8.676901713873692,
"density_atomic": 0.06311116901745292,
"volume": 47.53516765266022,
"volume_molar": 9.542115688483953,
"formula_full": "Si2 Ir1",
"formula_reduced": "Si2Ir",
"formula_anonymous": "AB2",
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"spacegroup": 225
}
]
}