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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_reduced&page=1148",
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{
"id": "jvasp-62066",
"created_at": "2022-09-04T14:36:05.680217Z",
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"structure_string": "Si8 B24\n1.0\n-3.110796 4.202815 6.310998\n3.110796 -4.202815 6.310998\n3.110796 4.202815 -6.310998\nSi B\n8 24\ndirect\n0.654324 0.657358 0.003034 Si\n0.154323 0.151289 0.996966 Si\n0.345676 0.342642 0.996966 Si\n0.020560 0.687208 0.207768 Si\n0.479440 0.687208 0.666646 Si\n0.979439 0.312793 0.792232 Si\n0.520560 0.312793 0.333354 Si\n0.845677 0.848712 0.003034 Si\n0.323636 0.154156 0.480949 B\n0.176363 0.657314 0.830519 B\n0.173206 0.342688 0.519051 B\n0.326794 0.845845 0.169482 B\n0.676363 0.845845 0.519051 B\n0.823637 0.342687 0.169481 B\n0.826794 0.657313 0.480949 B\n0.673205 0.154156 0.830518 B\n0.777510 0.390539 0.392277 B\n0.073983 0.797192 0.723211 B\n0.426017 0.149228 0.723210 B\n0.568971 0.297485 0.728513 B\n0.931028 0.659542 0.728513 B\n0.068972 0.340459 0.271488 B\n0.431029 0.702516 0.271488 B\n0.998260 0.390539 0.613027 B\n0.501739 0.114767 0.392277 B\n0.277511 0.885233 0.386973 B\n0.222489 0.609462 0.607723 B\n0.001740 0.609462 0.386973 B\n0.498261 0.885233 0.607723 B\n0.722489 0.114767 0.613027 B\n0.926017 0.202809 0.276789 B\n0.573983 0.850773 0.276791 B\n",
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"elements": [
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{
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"structure_string": "Si2 B2\n1.0\n1.602676 -2.775916 -0.000000\n1.602676 2.775916 0.000000\n0.000000 -0.000000 5.843149\nSi B\n2 2\ndirect\n0.333334 0.666668 0.357919 Si\n0.666668 0.333334 0.857919 Si\n0.333334 0.666668 0.017080 B\n0.666668 0.333334 0.517080 B\n",
"nsites": 4,
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"elements": [
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"density_atomic": 0.07693624414061616,
"volume": 51.991100484307644,
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"formula_full": "Si2 B2",
"formula_reduced": "SiB",
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"spacegroup": 186
},
{
"id": "jvasp-117512",
"created_at": "2022-09-04T14:38:51.340519Z",
"updated_at": "2022-09-04T14:38:51.340547Z",
"structure_string": "Si1 B1\n1.0\n3.442589 0.000000 -0.000000\n-1.721294 2.981369 -0.000000\n0.000000 0.000000 2.724139\nSi B\n1 1\ndirect\n0.333334 0.666666 0.000000 Si\n0.000000 0.000000 0.000000 B\n",
"nsites": 2,
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"elements": [
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],
"chemical_system": "B-Si",
"density": 2.3100929235612244,
"density_atomic": 0.07153191037328911,
"volume": 27.959549655014168,
"volume_molar": 8.418817180435239,
"formula_full": "Si1 B1",
"formula_reduced": "SiB",
"formula_anonymous": "AB",
"energy_above_hull": 2.7739755916666664,
"spacegroup": 187
},
{
"id": "jvasp-75770",
"created_at": "2022-09-04T14:35:51.341150Z",
"updated_at": "2022-09-04T14:35:51.341181Z",
"structure_string": "Si1 As1 W2\n1.0\n-0.000000 3.159566 3.159566\n3.159566 0.000000 3.159566\n3.159566 3.159566 0.000000\nSi As W\n1 1 2\ndirect\n0.750001 0.750001 0.750001 Si\n0.500001 0.500001 0.500001 As\n0.000000 0.000000 0.000000 W\n0.250000 0.250000 0.250000 W\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"As",
"W"
],
"chemical_system": "As-Si-W",
"density": 12.389937123685462,
"density_atomic": 0.06340853224332545,
"volume": 63.08299306866626,
"volume_molar": 9.497366595540313,
"formula_full": "Si1 As1 W2",
"formula_reduced": "SiAsW2",
"formula_anonymous": "ABC2",
"energy_above_hull": 5.4180325875,
"spacegroup": 216
},
{
"id": "jvasp-75605",
"created_at": "2022-09-04T14:36:14.548438Z",
"updated_at": "2022-09-04T14:36:14.548469Z",
"structure_string": "Si1 As1 Rh2\n1.0\n0.000000 3.112490 3.112490\n3.112490 -0.000000 3.112490\n3.112490 3.112490 -0.000000\nSi As Rh\n1 1 2\ndirect\n0.750000 0.750000 0.750000 Si\n0.500000 0.500000 0.500000 As\n0.000000 0.000000 0.000000 Rh\n0.250000 0.250000 0.250000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Rh"
],
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"density": 8.503504661427092,
"density_atomic": 0.06632940496962701,
"volume": 60.30507889874251,
"volume_molar": 9.07914184177833,
"formula_full": "Si1 As1 Rh2",
"formula_reduced": "SiAsRh2",
"formula_anonymous": "ABC2",
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"spacegroup": 216
},
{
"id": "jvasp-75454",
"created_at": "2022-09-04T14:36:06.631377Z",
"updated_at": "2022-09-04T14:36:06.631404Z",
"structure_string": "Si1 As1 Pd2\n1.0\n-0.000000 3.178409 3.178409\n3.178409 -0.000000 3.178409\n3.178409 3.178409 0.000000\nSi As Pd\n1 1 2\ndirect\n0.750000 0.750000 0.750000 Si\n0.500000 0.500000 0.500000 As\n0.000000 0.000000 0.000000 Pd\n0.250000 0.250000 0.250000 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"As",
"Pd"
],
"chemical_system": "As-Pd-Si",
"density": 8.167076998658379,
"density_atomic": 0.062287464156771784,
"volume": 64.21837931838692,
"volume_molar": 9.668302990859972,
"formula_full": "Si1 As1 Pd2",
"formula_reduced": "SiAsPd2",
"formula_anonymous": "ABC2",
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"spacegroup": 216
},
{
"id": "jvasp-75761",
"created_at": "2022-09-04T14:35:50.248233Z",
"updated_at": "2022-09-04T14:35:50.248258Z",
"structure_string": "Si1 As1 P2\n1.0\n0.000000 3.209269 3.209269\n3.209269 -0.000000 3.209269\n3.209269 3.209269 -0.000000\nSi As P\n1 1 2\ndirect\n0.750000 0.750000 0.750000 Si\n0.500000 0.500000 0.500000 As\n0.000000 0.000000 0.000000 P\n0.250000 0.250000 0.250000 P\n",
"nsites": 4,
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"elements": [
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"As",
"P"
],
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"density": 4.143479865392458,
"density_atomic": 0.06050783758384931,
"volume": 66.10713850841161,
"volume_molar": 9.95266233346178,
"formula_full": "Si1 As1 P2",
"formula_reduced": "SiAsP2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.0186953375,
"spacegroup": 216
},
{
"id": "jvasp-75847",
"created_at": "2022-09-04T14:35:58.315106Z",
"updated_at": "2022-09-04T14:35:58.315134Z",
"structure_string": "Si1 As1 Au1\n1.0\n0.000000 3.131910 3.131910\n3.131910 -0.000000 3.131910\n3.131910 3.131910 -0.000000\nSi As Au\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Si\n0.500000 0.500000 0.500000 As\n0.750000 0.750000 0.750000 Au\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Si",
"As",
"Au"
],
"chemical_system": "As-Au-Si",
"density": 8.107265886039778,
"density_atomic": 0.048827381940662815,
"volume": 61.44093499925374,
"volume_molar": 12.333531966383884,
"formula_full": "Si1 As1 Au1",
"formula_reduced": "SiAsAu",
"formula_anonymous": "ABC",
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"spacegroup": 216
},
{
"id": "jvasp-12187",
"created_at": "2022-09-04T14:36:38.387428Z",
"updated_at": "2022-09-04T14:36:38.387458Z",
"structure_string": "Si2 As6\n1.0\n6.055525 -0.000000 -0.000000\n-3.027763 5.244238 -0.000000\n-0.000000 0.000000 5.191670\nSi As\n2 6\ndirect\n0.333335 0.666667 0.750002 Si\n0.666669 0.333335 0.250002 Si\n0.189620 0.379238 0.250002 As\n0.620762 0.810380 0.250002 As\n0.189621 0.810380 0.250002 As\n0.810381 0.620760 0.750002 As\n0.379241 0.189620 0.750002 As\n0.810381 0.189620 0.750002 As\n",
"nsites": 8,
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"elements": [
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"density": 5.093323867253937,
"density_atomic": 0.04852311945126519,
"volume": 164.8698618404965,
"volume_molar": 12.410868938565283,
"formula_full": "Si2 As6",
"formula_reduced": "SiAs3",
"formula_anonymous": "AB3",
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"spacegroup": 194
},
{
"id": "jvasp-30488",
"created_at": "2022-09-04T14:38:35.679625Z",
"updated_at": "2022-09-04T14:38:35.679651Z",
"structure_string": "Si1 As3\n1.0\n-1.903986 1.903986 5.470056\n1.903986 -1.903986 5.470056\n1.903986 1.903986 -5.470056\nSi As\n1 3\ndirect\n0.000000 0.000000 0.000000 Si\n0.750003 0.250000 0.500003 As\n0.250000 0.750003 0.500003 As\n0.499999 0.499999 0.000000 As\n",
"nsites": 4,
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"elements": [
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"density": 5.293382844510383,
"density_atomic": 0.050429042951069314,
"volume": 79.31937165417062,
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"formula_reduced": "SiAs3",
"formula_anonymous": "AB3",
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},
{
"id": "jvasp-12186",
"created_at": "2022-09-04T14:37:05.175055Z",
"updated_at": "2022-09-04T14:37:05.175079Z",
"structure_string": "Si8 As16\n1.0\n15.011172 0.000000 0.000000\n0.000000 10.242490 0.000000\n0.000000 0.000000 3.711829\nSi As\n8 16\ndirect\n0.264886 0.196155 0.500001 Si\n0.735115 0.803844 0.500001 Si\n0.764885 0.303845 0.500001 Si\n0.235115 0.696155 0.500001 Si\n0.143661 0.413529 0.000000 Si\n0.856340 0.586470 0.000000 Si\n0.643660 0.086470 0.000000 Si\n0.356339 0.913529 0.000000 Si\n0.704909 0.658886 0.000000 As\n0.295090 0.341115 0.000000 As\n0.106712 0.553566 0.500001 As\n0.893288 0.446433 0.500001 As\n0.606711 0.946432 0.500001 As\n0.393288 0.053567 0.500001 As\n0.458439 0.730551 0.000000 As\n0.386575 0.600467 0.500001 As\n0.958439 0.769449 0.000000 As\n0.041561 0.230551 0.000000 As\n0.795090 0.158886 0.000000 As\n0.613424 0.399533 0.500001 As\n0.886576 0.899534 0.500001 As\n0.113424 0.100467 0.500001 As\n0.541560 0.269450 0.000000 As\n0.204910 0.841114 0.000000 As\n",
"nsites": 24,
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"elements": [
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],
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"density": 4.14168418652534,
"density_atomic": 0.04205359533904488,
"volume": 570.7003124585896,
"volume_molar": 14.3201567225067,
"formula_full": "Si8 As16",
"formula_reduced": "SiAs2",
"formula_anonymous": "AB2",
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"spacegroup": 55
},
{
"id": "jvasp-59717",
"created_at": "2022-09-04T14:37:29.957137Z",
"updated_at": "2022-09-04T14:37:29.957160Z",
"structure_string": "Si4 As8\n1.0\n6.141131 -0.000000 0.000000\n-0.000000 6.141131 -0.000000\n-0.000000 0.000000 6.141131\nSi As\n4 8\ndirect\n0.000000 0.000000 0.000000 Si\n0.500000 0.000000 0.500000 Si\n0.500000 0.500000 0.000000 Si\n0.000000 0.500000 0.500000 Si\n0.384742 0.384742 0.384742 As\n0.115258 0.615258 0.884742 As\n0.884742 0.115258 0.615258 As\n0.615258 0.884742 0.115258 As\n0.615258 0.615258 0.615258 As\n0.884742 0.384742 0.115258 As\n0.115258 0.884742 0.384742 As\n0.384742 0.115258 0.884742 As\n",
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"volume": 231.60348230639232,
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"formula_full": "Si4 As8",
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}
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}