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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_reduced&page=1126",
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"results": [
{
"id": "jvasp-36403",
"created_at": "2022-09-04T14:37:17.571475Z",
"updated_at": "2022-09-04T14:37:17.571500Z",
"structure_string": "Si1 Sn1\n1.0\n3.038042 3.038042 0.000000\n3.038042 0.000000 -3.038042\n0.000000 3.038042 -3.038042\nSi Sn\n1 1\ndirect\n0.000000 0.000000 0.000000 Si\n0.749999 0.749999 0.749999 Sn\n",
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"volume": 56.080427596042334,
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{
"id": "jvasp-32747",
"created_at": "2022-09-04T14:36:30.741305Z",
"updated_at": "2022-09-04T14:36:30.741331Z",
"structure_string": "Si2 Se4\n1.0\n5.665409 0.000000 -2.844430\n-1.298623 4.684534 -2.586538\n-0.138284 0.473749 6.788843\nSi Se\n2 4\ndirect\n0.000000 0.000000 0.000000 Si\n0.500000 -0.000000 0.000000 Si\n0.142364 0.406131 0.284727 Se\n0.357637 0.121404 0.715273 Se\n0.857637 0.593868 0.715273 Se\n0.642364 0.878595 0.284726 Se\n",
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"volume": 187.0241072533925,
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"formula_full": "Si2 Se4",
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},
{
"id": "jvasp-8514",
"created_at": "2022-09-04T14:36:53.505973Z",
"updated_at": "2022-09-04T14:36:53.505993Z",
"structure_string": "Si2 Se4\n1.0\n8.633196 0.000000 -4.334466\n-1.399032 5.053887 -2.786529\n-2.486381 -0.967224 5.812578\nSi Se\n2 4\ndirect\n0.249983 0.250001 0.500001 Si\n0.750019 0.750001 0.500001 Si\n0.624714 0.281376 0.000577 Se\n0.124137 0.218625 -0.000577 Se\n0.375287 0.718625 -0.000577 Se\n0.875864 0.781376 0.000577 Se\n",
"nsites": 6,
"nelements": 2,
"elements": [
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],
"chemical_system": "Se-Si",
"density": 3.6335471567173685,
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"volume": 170.00984769467314,
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"formula_full": "Si2 Se4",
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"spacegroup": 72
},
{
"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,
"nelements": 2,
"elements": [
"Si",
"Se"
],
"chemical_system": "Se-Si",
"density": 3.632194608839334,
"density_atomic": 0.035278936176138864,
"volume": 170.07315555218298,
"volume_molar": 17.070074703877022,
"formula_full": "Si2 Se4",
"formula_reduced": "SiSe2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.625691777777778,
"spacegroup": 72
},
{
"id": "jvasp-22639",
"created_at": "2022-09-04T14:36:49.913820Z",
"updated_at": "2022-09-04T14:36:49.913840Z",
"structure_string": "Si2 Se4\n1.0\n5.271148 -0.000000 -2.710554\n-1.430210 5.041607 -2.781295\n-0.041783 0.027627 6.399356\nSi Se\n2 4\ndirect\n0.750000 0.000000 0.000001 Si\n0.250000 0.000000 0.000000 Si\n0.124368 0.343414 0.248735 Se\n0.875633 0.656587 0.751268 Se\n0.375633 0.094680 0.751267 Se\n0.624368 0.905321 0.248736 Se\n",
"nsites": 6,
"nelements": 2,
"elements": [
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],
"chemical_system": "Se-Si",
"density": 3.633663803945555,
"density_atomic": 0.03529320623762083,
"volume": 170.00439006882556,
"volume_molar": 17.063172780206894,
"formula_full": "Si2 Se4",
"formula_reduced": "SiSe2",
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"spacegroup": 72
},
{
"id": "jvasp-123708",
"created_at": "2022-09-04T14:38:53.012578Z",
"updated_at": "2022-09-04T14:38:53.012608Z",
"structure_string": "Si1 Se2\n1.0\n0.967977 -3.461676 -0.077334\n2.513911 4.354222 -0.000000\n0.152573 -0.088088 5.864665\nSi Se\n1 2\ndirect\n-0.000000 0.166677 0.166667 Si\n0.500045 0.666683 0.419399 Se\n0.499955 0.166638 0.913933 Se\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Si",
"Se"
],
"chemical_system": "Se-Si",
"density": 4.073549887051646,
"density_atomic": 0.03956575072433558,
"volume": 75.82315373975197,
"volume_molar": 15.220590156263558,
"formula_full": "Si1 Se2",
"formula_reduced": "SiSe2",
"formula_anonymous": "AB2",
"energy_above_hull": null,
"spacegroup": 115
},
{
"id": "jvasp-35521",
"created_at": "2022-09-04T14:37:42.641444Z",
"updated_at": "2022-09-04T14:37:42.641457Z",
"structure_string": "Si1 Sb1 Pt5\n1.0\n3.989539 0.000000 0.000000\n0.000000 3.989539 0.000000\n-0.000000 -0.000000 7.344907\nSi Sb Pt\n1 1 5\ndirect\n0.000000 0.000000 0.500000 Si\n0.500000 0.500000 0.000000 Sb\n0.000000 0.500000 0.301025 Pt\n0.000000 0.500000 0.698975 Pt\n0.500000 0.000000 0.301025 Pt\n0.500000 0.000000 0.698975 Pt\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Si",
"Sb",
"Pt"
],
"chemical_system": "Pt-Sb-Si",
"density": 15.983517847137662,
"density_atomic": 0.05987786530742228,
"volume": 116.90463519467353,
"volume_molar": 10.057373837696773,
"formula_full": "Si1 Sb1 Pt5",
"formula_reduced": "SiSbPt5",
"formula_anonymous": "ABC5",
"energy_above_hull": 2.8604573857142856,
"spacegroup": 123
},
{
"id": "jvasp-94885",
"created_at": "2022-09-04T14:35:59.024560Z",
"updated_at": "2022-09-04T14:35:59.024579Z",
"structure_string": "Si1 Sb1 Pt5\n1.0\n3.955398 -0.000000 -0.000000\n-0.000000 3.955398 -0.000000\n0.000000 0.000000 7.682351\nSi Sb Pt\n1 1 5\ndirect\n0.500000 0.500000 0.000000 Si\n0.000000 0.000000 0.500000 Sb\n0.000000 0.000000 0.000000 Pt\n0.500000 0.000000 0.748537 Pt\n0.000000 0.500000 0.748537 Pt\n0.500000 0.000000 0.251463 Pt\n0.000000 0.500000 0.251463 Pt\n",
"nsites": 7,
"nelements": 3,
"elements": [
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"Sb",
"Pt"
],
"chemical_system": "Pt-Sb-Si",
"density": 15.546390643443184,
"density_atomic": 0.05824028814353683,
"volume": 120.19171304146131,
"volume_molar": 10.340163058874397,
"formula_full": "Si1 Sb1 Pt5",
"formula_reduced": "SiSbPt5",
"formula_anonymous": "ABC5",
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"spacegroup": 123
},
{
"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,
"nelements": 3,
"elements": [
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"Sb",
"Pt"
],
"chemical_system": "Pt-Sb-Si",
"density": 9.505437841751382,
"density_atomic": 0.04978676919913149,
"volume": 482.0557828126488,
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"formula_full": "Si8 Sb8 Pt8",
"formula_reduced": "SiSbPt",
"formula_anonymous": "ABC",
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"spacegroup": 61
},
{
"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",
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],
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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",
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"spacegroup": 216
},
{
"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": [
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"Sb",
"O"
],
"chemical_system": "O-Sb-Si",
"density": 5.443992022662821,
"density_atomic": 0.0721155103968004,
"volume": 55.46656992359677,
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"formula_full": "Si1 Sb1 O2",
"formula_reduced": "SiSbO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.1388954250000003,
"spacegroup": 99
},
{
"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,
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"elements": [
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],
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"density": 4.465320962143435,
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"volume": 61.67349173354321,
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"formula_full": "Si1 Sb1 O1",
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"formula_anonymous": "ABC",
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"spacegroup": 99
}
]
}