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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-elements&page=3817",
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"results": [
{
"id": "jvasp-37216",
"created_at": "2022-09-04T14:37:56.941168Z",
"updated_at": "2022-09-04T14:37:56.941197Z",
"structure_string": "Si3 Se1\n1.0\n-0.000000 3.273125 3.273125\n3.273125 -0.000000 3.273125\n3.273125 3.273125 0.000000\nSi Se\n3 1\ndirect\n0.000000 0.000000 0.000000 Si\n0.499999 0.499999 0.499999 Si\n0.249999 0.249999 0.249999 Si\n0.749998 0.749998 0.749998 Se\n",
"nsites": 4,
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"volume": 70.13224953759764,
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"formula_full": "Si3 Se1",
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{
"id": "jvasp-103216",
"created_at": "2022-09-04T14:36:46.236728Z",
"updated_at": "2022-09-04T14:36:46.236738Z",
"structure_string": "Si2 Se4\n1.0\n5.586455 0.084130 -3.135383\n-1.099794 5.094231 -3.726318\n-0.632049 -0.084130 6.374921\nSi Se\n2 4\ndirect\n0.000000 0.750000 0.750000 Si\n0.000000 0.250000 0.250000 Si\n0.904959 0.624219 0.280740 Se\n0.343480 0.124219 0.219261 Se\n0.095042 0.375781 0.719261 Se\n0.656521 0.875781 0.780739 Se\n",
"nsites": 6,
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"elements": [
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"density": 3.632194608839334,
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"volume": 170.07315555218298,
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"formula_full": "Si2 Se4",
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{
"id": "jvasp-12184",
"created_at": "2022-09-04T14:37:04.227823Z",
"updated_at": "2022-09-04T14:37:04.227849Z",
"structure_string": "Si2 Sb6\n1.0\n6.625442 0.000000 0.000000\n-3.312721 5.737801 -0.000000\n0.000000 0.000000 5.432452\nSi Sb\n2 6\ndirect\n0.333334 0.666668 0.750000 Si\n0.666665 0.333332 0.250001 Si\n0.177496 0.354993 0.250001 Sb\n0.645005 0.822503 0.250001 Sb\n0.177496 0.822503 0.250001 Sb\n0.822503 0.645007 0.750000 Sb\n0.354994 0.177497 0.750000 Sb\n0.822502 0.177497 0.750000 Sb\n",
"nsites": 8,
"nelements": 2,
"elements": [
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"Sb"
],
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"density": 6.325853424751997,
"density_atomic": 0.03873769282171361,
"volume": 206.51720371729948,
"volume_molar": 15.54594587683966,
"formula_full": "Si2 Sb6",
"formula_reduced": "SiSb3",
"formula_anonymous": "AB3",
"energy_above_hull": 2.109021725,
"spacegroup": 194
},
{
"id": "jvasp-8130",
"created_at": "2022-09-04T14:37:02.271334Z",
"updated_at": "2022-09-04T14:37:02.271360Z",
"structure_string": "Si2 S4\n1.0\n4.832019 -0.000000 -2.551226\n-1.347005 4.640472 -2.551226\n0.010836 0.014428 5.872053\nSi S\n2 4\ndirect\n0.000000 0.000000 0.000000 Si\n0.250000 0.750000 0.499999 Si\n0.352827 0.375000 0.249999 S\n0.125000 0.647173 0.749999 S\n0.625001 0.102827 0.750000 S\n0.897173 0.875000 0.249998 S\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Si",
"S"
],
"chemical_system": "S-Si",
"density": 2.3196929467966076,
"density_atomic": 0.045446321227177414,
"volume": 132.02388747830994,
"volume_molar": 13.251107234613066,
"formula_full": "Si2 S4",
"formula_reduced": "SiS2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.8234695333333333,
"spacegroup": 122
},
{
"id": "jvasp-28397",
"created_at": "2022-09-04T14:35:41.296429Z",
"updated_at": "2022-09-04T14:35:41.296449Z",
"structure_string": "Si4 S4\n1.0\n0.000000 -3.958761 0.000000\n-6.655928 0.000000 0.000000\n0.000000 0.000000 -23.940451\nSi S\n4 4\ndirect\n0.000000 0.000000 0.521726 Si\n0.000000 0.500000 0.521726 Si\n0.500000 0.000000 0.466184 Si\n0.500000 0.500000 0.466184 Si\n0.052490 0.750000 0.579275 S\n0.947510 0.250000 0.579275 S\n0.447487 0.750000 0.408634 S\n0.552513 0.250000 0.408634 S\n",
"nsites": 8,
"nelements": 2,
"elements": [
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"S"
],
"chemical_system": "S-Si",
"density": 0.6333563140799838,
"density_atomic": 0.012682058755762712,
"volume": 630.8124062557911,
"volume_molar": 47.48551379533348,
"formula_full": "Si4 S4",
"formula_reduced": "SiS",
"formula_anonymous": "AB",
"energy_above_hull": 1.4818842999999997,
"spacegroup": 53
},
{
"id": "jvasp-137",
"created_at": "2022-09-04T14:37:08.585059Z",
"updated_at": "2022-09-04T14:37:08.585095Z",
"structure_string": "Si2 S4\n1.0\n4.998459 0.000000 -2.511827\n-1.237157 4.726651 -2.461905\n-0.019421 0.052976 6.190656\nSi S\n2 4\ndirect\n0.750000 -0.000000 -0.000000 Si\n0.250000 -0.000000 -0.000000 Si\n0.881450 0.667052 0.762901 S\n0.118550 0.332948 0.237100 S\n0.618550 0.904152 0.237100 S\n0.381450 0.095849 0.762901 S\n",
"nsites": 6,
"nelements": 2,
"elements": [
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],
"chemical_system": "S-Si",
"density": 2.0855483191677004,
"density_atomic": 0.04085907101566304,
"volume": 146.84621678500577,
"volume_molar": 14.738809792546324,
"formula_full": "Si2 S4",
"formula_reduced": "SiS2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.8266728666666667,
"spacegroup": 72
},
{
"id": "jvasp-55521",
"created_at": "2022-09-04T14:37:06.506620Z",
"updated_at": "2022-09-04T14:37:06.506639Z",
"structure_string": "Si12 Ru8\n1.0\n5.625344 0.000000 0.000000\n0.000000 5.625344 0.000000\n-0.000000 0.000000 8.986626\nSi Ru\n12 8\ndirect\n0.171220 0.828779 0.750000 Si\n0.353536 0.790509 0.089561 Si\n0.790509 0.646463 0.910439 Si\n0.646463 0.209490 0.089561 Si\n0.790509 0.353536 0.410439 Si\n0.209490 0.646463 0.410439 Si\n0.209490 0.353536 0.910439 Si\n0.353536 0.209490 0.589561 Si\n0.828779 0.171220 0.750000 Si\n0.171220 0.171220 0.250000 Si\n0.828779 0.828779 0.250000 Si\n0.646463 0.790509 0.589561 Si\n0.000000 0.500000 0.626564 Ru\n0.000000 0.000000 0.500000 Ru\n0.000000 0.000000 0.000000 Ru\n0.500000 0.500000 0.750000 Ru\n0.500000 0.500000 0.250000 Ru\n0.500000 0.000000 0.873437 Ru\n0.000000 0.500000 0.126564 Ru\n0.500000 0.000000 0.373437 Ru\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Si",
"Ru"
],
"chemical_system": "Ru-Si",
"density": 6.689319756541256,
"density_atomic": 0.07032911571276478,
"volume": 284.37724258731134,
"volume_molar": 8.562798919007278,
"formula_full": "Si12 Ru8",
"formula_reduced": "Si3Ru2",
"formula_anonymous": "A2B3",
"energy_above_hull": 3.820465360000001,
"spacegroup": 116
},
{
"id": "jvasp-2085",
"created_at": "2022-09-04T14:36:21.454989Z",
"updated_at": "2022-09-04T14:36:21.455017Z",
"structure_string": "Si4 Ru4\n1.0\n4.763030 0.000000 0.000000\n0.000000 4.763030 0.000000\n0.000000 0.000000 4.763030\nSi Ru\n4 4\ndirect\n0.163349 0.336651 0.663349 Si\n0.336651 0.663349 0.163349 Si\n0.663349 0.163349 0.336651 Si\n0.836651 0.836651 0.836651 Si\n0.873004 0.626996 0.373004 Ru\n0.626996 0.373004 0.873004 Ru\n0.373004 0.873004 0.626996 Ru\n0.126996 0.126996 0.126996 Ru\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Si",
"Ru"
],
"chemical_system": "Ru-Si",
"density": 7.939114089563581,
"density_atomic": 0.07403550382844463,
"volume": 108.0562647150701,
"volume_molar": 8.134125451424667,
"formula_full": "Si4 Ru4",
"formula_reduced": "SiRu",
"formula_anonymous": "AB",
"energy_above_hull": 2.28478955,
"spacegroup": 198
},
{
"id": "jvasp-91928",
"created_at": "2022-09-04T14:36:11.200439Z",
"updated_at": "2022-09-04T14:36:11.200468Z",
"structure_string": "Si4 Ru4\n1.0\n4.763032 -0.000000 0.000000\n-0.000000 4.763032 -0.000000\n-0.000000 0.000000 4.763032\nSi Ru\n4 4\ndirect\n0.663346 0.163346 0.336654 Si\n0.163346 0.336654 0.663346 Si\n0.336654 0.663346 0.163346 Si\n0.836653 0.836653 0.836653 Si\n0.372997 0.872997 0.627002 Ru\n0.872997 0.627002 0.372997 Ru\n0.627002 0.372997 0.872997 Ru\n0.127003 0.127003 0.127003 Ru\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Si",
"Ru"
],
"chemical_system": "Ru-Si",
"density": 7.939104088651443,
"density_atomic": 0.0740354105658261,
"volume": 108.05640083385596,
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"formula_full": "Si4 Ru4",
"formula_reduced": "SiRu",
"formula_anonymous": "AB",
"energy_above_hull": 2.28479455,
"spacegroup": 198
},
{
"id": "jvasp-58234",
"created_at": "2022-09-04T14:37:36.244074Z",
"updated_at": "2022-09-04T14:37:36.244107Z",
"structure_string": "Si4 Ru8\n1.0\n4.048274 -0.000000 0.000000\n0.000000 5.333417 0.000000\n0.000000 0.000000 7.449228\nSi Ru\n4 8\ndirect\n0.250000 0.797386 0.597475 Si\n0.749999 0.202614 0.402525 Si\n0.250000 0.297386 0.902525 Si\n0.749999 0.702615 0.097475 Si\n0.749999 0.012225 0.711039 Ru\n0.250000 0.987776 0.288962 Ru\n0.749999 0.512225 0.788962 Ru\n0.250000 0.487776 0.211039 Ru\n0.250000 0.334894 0.566254 Ru\n0.749999 0.665106 0.433746 Ru\n0.250000 0.834895 0.933747 Ru\n0.749999 0.165106 0.066254 Ru\n",
"nsites": 12,
"nelements": 2,
"elements": [
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"Ru"
],
"chemical_system": "Ru-Si",
"density": 9.507707370437586,
"density_atomic": 0.07460957032490058,
"volume": 160.8372752683587,
"volume_molar": 8.071539259341023,
"formula_full": "Si4 Ru8",
"formula_reduced": "SiRu2",
"formula_anonymous": "AB2",
"energy_above_hull": 3.488886533333334,
"spacegroup": 62
},
{
"id": "jvasp-14685",
"created_at": "2022-09-04T14:36:48.386022Z",
"updated_at": "2022-09-04T14:36:48.386043Z",
"structure_string": "Si1 Ru1\n1.0\n2.950152 -0.000000 -0.000000\n-0.000000 2.950152 0.000000\n0.000000 0.000000 2.950152\nSi Ru\n1 1\ndirect\n0.500000 0.500000 0.500000 Si\n0.000000 0.000000 0.000000 Ru\n",
"nsites": 2,
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"elements": [
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"density": 8.352737337572124,
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"volume": 25.676343544473916,
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"formula_full": "Si1 Ru1",
"formula_reduced": "SiRu",
"formula_anonymous": "AB",
"energy_above_hull": 2.29957455,
"spacegroup": 221
},
{
"id": "jvasp-14914",
"created_at": "2022-09-04T14:35:47.375840Z",
"updated_at": "2022-09-04T14:35:47.375869Z",
"structure_string": "Si2 Ru1\n1.0\n2.896015 0.000000 0.000000\n0.000000 2.896015 0.000000\n0.000000 -0.000000 5.287047\nSi Ru\n2 1\ndirect\n0.500001 0.500001 0.721151 Si\n0.500001 0.500001 0.278850 Si\n0.000000 0.000000 0.000000 Ru\n",
"nsites": 3,
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"elements": [
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"density": 5.888438038156456,
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"volume": 44.34194971218495,
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"formula_full": "Si2 Ru1",
"formula_reduced": "Si2Ru",
"formula_anonymous": "AB2",
"energy_above_hull": 3.0863559,
"spacegroup": 123
}
]
}