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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_reduced&page=3519",
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"results": [
{
"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",
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{
"id": "jvasp-91928",
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"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",
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"spacegroup": 198
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{
"id": "jvasp-2085",
"created_at": "2022-09-04T14:36:21.454989Z",
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"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": [
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],
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"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-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": [
"Si",
"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-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": [
"Si",
"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-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-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": [
"Si",
"S"
],
"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-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": [
"Si",
"Sb"
],
"chemical_system": "Sb-Si",
"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-113716",
"created_at": "2022-09-04T14:38:48.557020Z",
"updated_at": "2022-09-04T14:38:48.557036Z",
"structure_string": "Si1 Sb1 O1\n1.0\n3.031305 0.000000 -0.000000\n-0.000000 3.031305 0.000000\n-0.000000 -0.000000 6.711804\nSi Sb O\n1 1 1\ndirect\n0.000000 0.000000 0.044001 Si\n0.000000 0.000000 0.589624 Sb\n0.000000 0.000000 0.285013 O\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Si",
"Sb",
"O"
],
"chemical_system": "O-Sb-Si",
"density": 4.465320962143435,
"density_atomic": 0.04864326496967819,
"volume": 61.67349173354321,
"volume_molar": 12.38021494600312,
"formula_full": "Si1 Sb1 O1",
"formula_reduced": "SiSbO",
"formula_anonymous": "ABC",
"energy_above_hull": 1.9412094,
"spacegroup": 99
},
{
"id": "jvasp-113715",
"created_at": "2022-09-04T14:38:51.116830Z",
"updated_at": "2022-09-04T14:38:51.116858Z",
"structure_string": "Si1 Sb1 O2\n1.0\n3.027156 0.000000 -0.000000\n0.000000 3.027156 -0.000000\n-0.000000 -0.000000 6.052875\nSi Sb O\n1 1 2\ndirect\n0.500000 0.500000 0.560087 Si\n0.000000 0.000000 0.118586 Sb\n0.000000 0.000000 0.507290 O\n0.500000 0.500000 0.824039 O\n",
"nsites": 4,
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"elements": [
"Si",
"Sb",
"O"
],
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"density": 5.443992022662821,
"density_atomic": 0.0721155103968004,
"volume": 55.46656992359677,
"volume_molar": 8.350687288857054,
"formula_full": "Si1 Sb1 O2",
"formula_reduced": "SiSbO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.1388954250000003,
"spacegroup": 99
},
{
"id": "jvasp-51157",
"created_at": "2022-09-04T14:36:47.047645Z",
"updated_at": "2022-09-04T14:36:47.047673Z",
"structure_string": "Si1 Sb1 Os2\n1.0\n-0.000000 3.220373 3.220373\n3.220373 -0.000000 3.220373\n3.220373 3.220373 -0.000000\nSi Sb Os\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Si\n0.499999 0.499999 0.499999 Sb\n0.000000 0.000000 0.000000 Os\n0.749999 0.749999 0.749999 Os\n",
"nsites": 4,
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"elements": [
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"Sb",
"Os"
],
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"density": 13.183377945398409,
"density_atomic": 0.05988409149586799,
"volume": 66.79570316727607,
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"formula_full": "Si1 Sb1 Os2",
"formula_reduced": "SiSbOs2",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.391686175,
"spacegroup": 216
},
{
"id": "jvasp-88928",
"created_at": "2022-09-04T14:36:01.388575Z",
"updated_at": "2022-09-04T14:36:01.388610Z",
"structure_string": "Si8 Sb8 Pt8\n1.0\n6.415064 0.000000 0.000000\n-0.000000 6.430901 0.000000\n0.000000 0.000000 11.684886\nSi Sb Pt\n8 8 8\ndirect\n0.855457 0.266172 0.426461 Si\n0.355457 0.233827 0.573539 Si\n0.144543 0.766172 0.073539 Si\n0.644542 0.733827 0.926462 Si\n0.144543 0.733827 0.573539 Si\n0.644542 0.766172 0.426461 Si\n0.855457 0.233827 0.926462 Si\n0.355457 0.266172 0.073539 Si\n0.617766 0.007474 0.173263 Sb\n0.117766 0.492526 0.826737 Sb\n0.382233 0.507474 0.326737 Sb\n0.882233 0.992526 0.673263 Sb\n0.382233 0.992526 0.826737 Sb\n0.882233 0.507474 0.173263 Sb\n0.617766 0.492526 0.673263 Sb\n0.117766 0.007474 0.326737 Sb\n0.512885 0.119922 0.393655 Pt\n0.012886 0.380078 0.606345 Pt\n0.487114 0.619922 0.106345 Pt\n0.987114 0.880078 0.893655 Pt\n0.487114 0.880078 0.606345 Pt\n0.987114 0.619922 0.393655 Pt\n0.512885 0.380078 0.893655 Pt\n0.012886 0.119922 0.106345 Pt\n",
"nsites": 24,
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"elements": [
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"Sb",
"Pt"
],
"chemical_system": "Pt-Sb-Si",
"density": 9.505437841751382,
"density_atomic": 0.04978676919913149,
"volume": 482.0557828126488,
"volume_molar": 12.095865742790666,
"formula_full": "Si8 Sb8 Pt8",
"formula_reduced": "SiSbPt",
"formula_anonymous": "ABC",
"energy_above_hull": 2.0313786999999994,
"spacegroup": 61
}
]
}