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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-elements&page=3831",
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"results": [
{
"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,
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"volume": 125.79610267278606,
"volume_molar": 9.469522966936625,
"formula_full": "Si6 Ir2",
"formula_reduced": "Si3Ir",
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"spacegroup": 194
},
{
"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": [
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"Ir"
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"volume": 125.79610267278606,
"volume_molar": 9.469522966936625,
"formula_full": "Si6 Ir2",
"formula_reduced": "Si3Ir",
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"spacegroup": 194
},
{
"id": "jvasp-91723",
"created_at": "2022-09-04T14:36:19.108339Z",
"updated_at": "2022-09-04T14:36:19.108362Z",
"structure_string": "Si2 I6\n1.0\n-3.584924 -6.209271 0.000000\n3.584924 -6.209271 0.000000\n-0.000000 -4.139514 7.397281\nSi I\n2 6\ndirect\n0.053175 0.053175 0.840476 Si\n0.946825 0.946825 0.159524 Si\n0.091414 0.755585 0.740727 I\n0.755585 0.412274 0.740727 I\n0.412274 0.091414 0.740727 I\n0.908586 0.244415 0.259273 I\n0.244414 0.587725 0.259273 I\n0.587725 0.908586 0.259273 I\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Si",
"I"
],
"chemical_system": "I-Si",
"density": 4.122551998529017,
"density_atomic": 0.02429222566580776,
"volume": 329.3234679299191,
"volume_molar": 24.79040349306648,
"formula_full": "Si2 I6",
"formula_reduced": "SiI3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.4625743562499999,
"spacegroup": 148
},
{
"id": "jvasp-37246",
"created_at": "2022-09-04T14:38:03.135107Z",
"updated_at": "2022-09-04T14:38:03.135134Z",
"structure_string": "Si1 Hg3\n1.0\n-2.082838 2.082838 5.462757\n2.082838 -2.082838 5.462757\n2.082838 2.082838 -5.462757\nSi Hg\n1 3\ndirect\n0.000000 0.000000 0.000000 Si\n0.750001 0.250000 0.500000 Hg\n0.250000 0.750001 0.500000 Hg\n0.500001 0.500001 0.000000 Hg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Si",
"Hg"
],
"chemical_system": "Hg-Si",
"density": 11.03334415416493,
"density_atomic": 0.04219656830677264,
"volume": 94.79443851736141,
"volume_molar": 14.271636300417903,
"formula_full": "Si1 Hg3",
"formula_reduced": "SiHg3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.004995,
"spacegroup": 139
},
{
"id": "jvasp-37274",
"created_at": "2022-09-04T14:38:06.583133Z",
"updated_at": "2022-09-04T14:38:06.583156Z",
"structure_string": "Si2 Hg6\n1.0\n3.798450 -6.579107 0.000000\n3.798450 6.579107 -0.000000\n-0.000000 0.000000 3.958881\nSi Hg\n2 6\ndirect\n0.333333 0.666667 0.250000 Si\n0.666667 0.333333 0.750000 Si\n0.644525 0.822263 0.750000 Hg\n0.177737 0.355475 0.750000 Hg\n0.177737 0.822263 0.750000 Hg\n0.355475 0.177737 0.250000 Hg\n0.822263 0.644525 0.250000 Hg\n0.822263 0.177737 0.250000 Hg\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Si",
"Hg"
],
"chemical_system": "Hg-Si",
"density": 10.571684955095456,
"density_atomic": 0.040430971797156705,
"volume": 197.86811061916146,
"volume_molar": 14.894870175798012,
"formula_full": "Si2 Hg6",
"formula_reduced": "SiHg3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 194
},
{
"id": "jvasp-33859",
"created_at": "2022-09-04T14:38:06.440025Z",
"updated_at": "2022-09-04T14:38:06.440067Z",
"structure_string": "Si1 H8\n1.0\n-2.700656 2.700656 3.729819\n2.700656 -2.700656 3.729819\n2.700656 2.700656 -3.729819\nSi H\n1 8\ndirect\n0.000000 0.000000 0.000000 Si\n0.449594 0.449594 0.000000 H\n0.550405 0.550405 0.000000 H\n0.699566 0.199563 0.500003 H\n0.800440 0.300437 0.500003 H\n0.115654 0.341996 0.226343 H\n0.115654 0.889315 0.773661 H\n0.658005 0.884348 0.773661 H\n0.110688 0.884348 0.226345 H\n",
"nsites": 9,
"nelements": 2,
"elements": [
"Si",
"H"
],
"chemical_system": "H-Si",
"density": 0.5516445597979189,
"density_atomic": 0.08270965771037252,
"volume": 108.81437850360395,
"volume_molar": 7.281061156229123,
"formula_full": "Si1 H8",
"formula_reduced": "SiH8",
"formula_anonymous": "AB8",
"energy_above_hull": 3.1168065111111107,
"spacegroup": 119
},
{
"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": [
"Si",
"H"
],
"chemical_system": "H-Si",
"density": 1.911229134493574,
"density_atomic": 0.05399526872638007,
"volume": 148.16112946006135,
"volume_molar": 11.153089709613402,
"formula_full": "Si6 H2",
"formula_reduced": "Si3H",
"formula_anonymous": "AB3",
"energy_above_hull": 2.99625395,
"spacegroup": 164
},
{
"id": "jvasp-5281",
"created_at": "2022-09-04T14:35:42.952146Z",
"updated_at": "2022-09-04T14:35:42.952162Z",
"structure_string": "Si4 H16\n1.0\n0.000000 7.393492 0.065426\n4.740377 0.000000 0.000000\n0.000000 -1.824042 -7.267587\nSi H\n4 16\ndirect\n0.248508 0.063323 0.846100 Si\n0.751492 0.563323 0.653900 Si\n0.751492 0.936678 0.153899 Si\n0.248508 0.436677 0.346100 Si\n0.589230 0.089986 0.193884 H\n0.410769 0.589986 0.306116 H\n0.300602 0.365469 0.888371 H\n0.699399 0.865469 0.611630 H\n0.699398 0.634532 0.111629 H\n0.300601 0.134532 0.388370 H\n0.085285 0.046200 0.681317 H\n0.914715 0.953800 0.318683 H\n0.589231 0.410015 0.693884 H\n0.085285 0.453800 0.181317 H\n0.198136 0.568988 0.508162 H\n0.801864 0.068987 0.991838 H\n0.801864 0.431013 0.491838 H\n0.198136 0.931013 0.008162 H\n0.914715 0.546201 0.818683 H\n0.410770 0.910015 0.806116 H\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Si",
"H"
],
"chemical_system": "H-Si",
"density": 0.8393836025485371,
"density_atomic": 0.07869423182316994,
"volume": 254.14823344284048,
"volume_molar": 7.652582178490624,
"formula_full": "Si4 H16",
"formula_reduced": "SiH4",
"formula_anonymous": "AB4",
"energy_above_hull": 2.85785172,
"spacegroup": 14
},
{
"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-5722",
"created_at": "2022-09-04T14:37:56.384679Z",
"updated_at": "2022-09-04T14:37:56.384698Z",
"structure_string": "Si2 H2\n1.0\n1.954034 -3.384487 -0.000000\n1.954034 3.384487 0.000000\n0.000000 0.000000 5.002141\nSi H\n2 2\ndirect\n0.333332 0.666666 0.928036 Si\n0.666666 0.333332 0.071964 Si\n0.333332 0.666666 0.627040 H\n0.666666 0.333332 0.372960 H\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Si",
"H"
],
"chemical_system": "H-Si",
"density": 1.4603712575720524,
"density_atomic": 0.06045734899686203,
"volume": 66.16234529581533,
"volume_molar": 9.960973909578094,
"formula_full": "Si2 H2",
"formula_reduced": "SiH",
"formula_anonymous": "AB",
"energy_above_hull": 1.9223643,
"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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"H"
],
"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-92177",
"created_at": "2022-09-04T14:35:52.959010Z",
"updated_at": "2022-09-04T14:35:52.959031Z",
"structure_string": "Si7 Ge1\n1.0\n5.520391 -0.000000 -0.000000\n0.000000 5.520391 0.000000\n-0.000000 -0.000000 5.520391\nSi Ge\n7 1\ndirect\n0.252642 0.252642 0.252642 Si\n0.000000 0.500000 0.500000 Si\n0.500000 0.500000 0.000000 Si\n0.500000 0.000000 0.500000 Si\n0.747358 0.252642 0.747358 Si\n0.747358 0.747358 0.252642 Si\n0.252642 0.747358 0.747358 Si\n0.000000 0.000000 0.000000 Ge\n",
"nsites": 8,
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"elements": [
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"Ge"
],
"chemical_system": "Ge-Si",
"density": 2.6575212278811686,
"density_atomic": 0.04755327908161445,
"volume": 168.23235231096913,
"volume_molar": 12.663986325032091,
"formula_full": "Si7 Ge1",
"formula_reduced": "Si7Ge",
"formula_anonymous": "AB7",
"energy_above_hull": 3.30965826875,
"spacegroup": 215
}
]
}