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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_reduced&page=3499",
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"results": [
{
"id": "jvasp-34899",
"created_at": "2022-09-04T14:38:18.413975Z",
"updated_at": "2022-09-04T14:38:18.413998Z",
"structure_string": "Si2 Bi4 O10\n1.0\n5.352504 0.000000 0.000000\n-0.000000 5.208560 -1.878727\n0.000000 -0.012189 8.125642\nSi Bi O\n2 4 10\ndirect\n0.704822 0.678872 -0.000000 Si\n0.204822 0.321128 -0.000000 Si\n0.247961 0.613160 0.669767 Bi\n0.747960 0.386839 0.330232 Bi\n0.747960 0.056607 0.669767 Bi\n0.247961 0.943393 0.330232 Bi\n0.481910 0.258315 0.503372 O\n0.981910 0.741685 0.496627 O\n0.981910 0.245058 0.503372 O\n0.481910 0.754942 0.496627 O\n0.679001 0.732465 0.816361 O\n0.179002 0.267535 0.183639 O\n0.479432 0.466311 -0.000000 O\n0.979431 0.533689 -0.000000 O\n0.679001 0.916103 0.183638 O\n0.179002 0.083896 0.816361 O\n",
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{
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"structure_string": "Si1 Bi3\n1.0\n0.000000 3.854441 3.854441\n3.854441 -0.000000 3.854441\n3.854441 3.854441 -0.000000\nSi Bi\n1 3\ndirect\n0.750001 0.750001 0.750001 Si\n0.000000 0.000000 0.000000 Bi\n0.500000 0.500000 0.500000 Bi\n0.250001 0.250001 0.250001 Bi\n",
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{
"id": "jvasp-98213",
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"updated_at": "2022-09-04T14:35:53.952811Z",
"structure_string": "Si1 Bi12 O20\n1.0\n8.287887 -0.000000 -2.930211\n-4.143944 7.177521 -2.930211\n0.000000 0.000000 8.790632\nSi Bi O\n1 12 20\ndirect\n0.000000 0.000000 0.000000 Si\n0.332028 0.189086 0.493926 Bi\n0.142942 0.304840 0.810914 Bi\n0.161899 0.857058 0.667972 Bi\n0.506074 0.695159 0.838102 Bi\n0.810915 0.142942 0.304841 Bi\n0.857058 0.667972 0.161899 Bi\n0.493926 0.332028 0.189086 Bi\n0.189086 0.493926 0.332028 Bi\n0.695160 0.838102 0.506074 Bi\n0.304841 0.810914 0.142942 Bi\n0.667973 0.161898 0.857058 Bi\n0.838102 0.506074 0.695160 Bi\n0.872818 0.253692 0.643814 O\n0.380874 0.127183 0.770996 O\n0.609878 0.229003 0.356186 O\n0.189413 0.000000 0.000000 O\n0.356186 0.609878 0.229004 O\n0.746309 0.619126 0.390122 O\n0.390123 0.746308 0.619126 O\n0.619126 0.390122 0.746308 O\n0.229004 0.356186 0.609878 O\n0.770997 0.380874 0.127183 O\n0.253692 0.643814 0.872817 O\n0.397079 0.397079 0.397079 O\n0.000000 0.602921 0.000000 O\n-0.000000 -0.000000 0.602921 O\n0.602921 0.000000 0.000000 O\n0.810588 0.810587 0.810587 O\n0.000000 0.189413 0.000000 O\n-0.000000 -0.000000 0.189413 O\n0.127183 0.770996 0.380874 O\n0.643815 0.872817 0.253692 O\n",
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"elements": [
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],
"chemical_system": "Bi-O-Si",
"density": 9.068685032210963,
"density_atomic": 0.06310671115733114,
"volume": 522.9237809228848,
"volume_molar": 9.5427897438455,
"formula_full": "Si1 Bi12 O20",
"formula_reduced": "Si(Bi3O5)4",
"formula_anonymous": "AB12C20",
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"spacegroup": 197
},
{
"id": "jvasp-39098",
"created_at": "2022-09-04T14:37:49.574119Z",
"updated_at": "2022-09-04T14:37:49.574140Z",
"structure_string": "Si1 Bi1 O3\n1.0\n3.788724 0.000000 -0.000000\n0.000000 3.788724 0.000000\n-0.000000 -0.000000 3.788724\nSi Bi O\n1 1 3\ndirect\n0.499999 0.499999 0.499999 Si\n0.000000 0.000000 0.000000 Bi\n0.499999 0.499999 0.000000 O\n0.499999 0.000000 0.499999 O\n0.000000 0.499999 0.499999 O\n",
"nsites": 5,
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"elements": [
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"density": 8.703876446557466,
"density_atomic": 0.09193716279414264,
"volume": 54.384971735483575,
"volume_molar": 6.5502791003940715,
"formula_full": "Si1 Bi1 O3",
"formula_reduced": "SiBiO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.08366468,
"spacegroup": 221
},
{
"id": "jvasp-115513",
"created_at": "2022-09-04T14:38:44.138137Z",
"updated_at": "2022-09-04T14:38:44.138169Z",
"structure_string": "Si1 B1 O1\n1.0\n3.706052 -0.000000 -0.000000\n-1.853026 3.209535 0.000000\n0.000000 0.000000 2.534416\nSi B O\n1 1 1\ndirect\n0.666665 0.333333 0.000000 Si\n0.000000 0.000000 0.000000 B\n0.333331 0.666665 0.000000 O\n",
"nsites": 3,
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"density_atomic": 0.09951527062431902,
"volume": 30.146127133847898,
"volume_molar": 6.051474032296246,
"formula_full": "Si1 B1 O1",
"formula_reduced": "SiBO",
"formula_anonymous": "ABC",
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"spacegroup": 187
},
{
"id": "jvasp-115515",
"created_at": "2022-09-04T14:38:46.966324Z",
"updated_at": "2022-09-04T14:38:46.966353Z",
"structure_string": "Si1 B1 O2\n1.0\n2.796181 0.000000 0.000000\n0.000000 2.796181 0.000000\n0.000000 0.000000 6.128730\nSi B O\n1 1 2\ndirect\n0.499999 0.499999 0.585757 Si\n0.000000 0.000000 0.020285 B\n0.000000 0.000000 0.544216 O\n0.499999 0.499999 0.859742 O\n",
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"density_atomic": 0.083475483186208,
"volume": 47.918261114790276,
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"formula_full": "Si1 B1 O2",
"formula_reduced": "SiBO2",
"formula_anonymous": "ABC2",
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"spacegroup": 99
},
{
"id": "jvasp-39097",
"created_at": "2022-09-04T14:37:49.039063Z",
"updated_at": "2022-09-04T14:37:49.039083Z",
"structure_string": "Si1 B1 O3\n1.0\n3.340553 -0.000000 0.000000\n0.000000 3.340553 0.000000\n-0.000000 0.000000 3.340553\nSi B O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Si\n0.500000 0.500000 0.500000 B\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
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"elements": [
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"density": 3.870680157527594,
"density_atomic": 0.1341265966372259,
"volume": 37.27821420477529,
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"formula_full": "Si1 B1 O3",
"formula_reduced": "SiBO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 3.0157443366666667,
"spacegroup": 221
},
{
"id": "jvasp-39102",
"created_at": "2022-09-04T14:37:51.545693Z",
"updated_at": "2022-09-04T14:37:51.545726Z",
"structure_string": "Si1 B1 O3\n1.0\n3.507001 0.000000 0.000000\n0.000000 3.507001 0.000000\n0.000000 0.000000 3.508140\nSi B O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Si\n0.000000 0.000000 0.000000 B\n0.000000 0.500000 0.500000 O\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n",
"nsites": 5,
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"elements": [
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"density": 3.344211143535112,
"density_atomic": 0.11588342122412945,
"volume": 43.14681036495746,
"volume_molar": 5.196723307256016,
"formula_full": "Si1 B1 O3",
"formula_reduced": "SiBO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 3.0068663366666666,
"spacegroup": 221
},
{
"id": "jvasp-51267",
"created_at": "2022-09-04T14:36:43.922551Z",
"updated_at": "2022-09-04T14:36:43.922581Z",
"structure_string": "Si1 B1 Pb1\n1.0\n-0.000000 3.164941 3.164941\n3.164941 0.000000 3.164941\n3.164941 3.164941 0.000000\nSi B Pb\n1 1 1\ndirect\n0.250000 0.250000 0.250000 Si\n0.000000 0.000000 0.000000 B\n0.500000 0.500000 0.500000 Pb\n",
"nsites": 3,
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"elements": [
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"B",
"Pb"
],
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"density": 6.445070669522752,
"density_atomic": 0.04731451620818636,
"volume": 63.40548821845377,
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"formula_full": "Si1 B1 Pb1",
"formula_reduced": "SiBPb",
"formula_anonymous": "ABC",
"energy_above_hull": 2.793160667777778,
"spacegroup": 216
},
{
"id": "jvasp-91721",
"created_at": "2022-09-04T14:36:00.634134Z",
"updated_at": "2022-09-04T14:36:00.634152Z",
"structure_string": "Si2 Br6\n1.0\n-3.130079 -5.699971 1.032294\n-3.130079 5.699971 1.032294\n-0.030710 0.000000 -7.461298\nSi Br\n2 6\ndirect\n0.450920 0.450920 0.334870 Si\n0.549081 0.549081 0.665131 Si\n0.746292 0.746292 0.250907 Br\n0.253709 0.253709 0.749094 Br\n0.099224 0.419735 0.229070 Br\n0.419735 0.099224 0.229070 Br\n0.900776 0.580265 0.770932 Br\n0.580265 0.900776 0.770932 Br\n",
"nsites": 8,
"nelements": 2,
"elements": [
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"Br"
],
"chemical_system": "Br-Si",
"density": 3.3359855883685605,
"density_atomic": 0.030007412008595285,
"volume": 266.6007984196868,
"volume_molar": 20.068844185146745,
"formula_full": "Si2 Br6",
"formula_reduced": "SiBr3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.5387677287499999,
"spacegroup": 12
},
{
"id": "jvasp-98821",
"created_at": "2022-09-04T14:36:01.349966Z",
"updated_at": "2022-09-04T14:36:01.349977Z",
"structure_string": "Si8 Br32\n1.0\n10.945056 -0.000000 0.000000\n-0.000000 10.945056 0.000000\n-0.000000 -0.000000 10.945056\nSi Br\n8 32\ndirect\n0.370029 0.629972 0.129972 Si\n0.129972 0.129972 0.129972 Si\n0.870029 0.870029 0.870029 Si\n0.129972 0.370029 0.629972 Si\n0.629972 0.129972 0.370029 Si\n0.870029 0.629972 0.370029 Si\n0.370029 0.870029 0.629972 Si\n0.629972 0.370029 0.870029 Si\n0.246860 0.253140 0.746860 Br\n0.008242 0.252563 0.517763 Br\n0.752563 0.517763 0.491758 Br\n0.982238 0.991759 0.752563 Br\n0.008242 0.247438 0.017763 Br\n0.747438 0.017763 0.491758 Br\n0.491758 0.752563 0.517763 Br\n0.482237 0.991759 0.747438 Br\n0.753140 0.746860 0.253140 Br\n0.246860 0.246860 0.246860 Br\n0.253140 0.746860 0.246860 Br\n0.753140 0.753140 0.753140 Br\n0.991759 0.752563 0.982238 Br\n0.247438 0.017763 0.008242 Br\n0.247438 0.482237 0.508242 Br\n0.982238 0.508242 0.252563 Br\n0.252563 0.982238 0.508242 Br\n0.991759 0.747438 0.482237 Br\n0.252563 0.517763 0.008242 Br\n0.517763 0.491758 0.752563 Br\n0.482237 0.508242 0.247438 Br\n0.017763 0.491758 0.747438 Br\n0.508242 0.252563 0.982238 Br\n0.746860 0.253140 0.753140 Br\n0.746860 0.246860 0.253140 Br\n0.017763 0.008242 0.247438 Br\n0.752563 0.982238 0.991759 Br\n0.508242 0.247438 0.482237 Br\n0.747438 0.482237 0.991759 Br\n0.253140 0.753140 0.746860 Br\n0.517763 0.008242 0.252563 Br\n0.491758 0.747438 0.017763 Br\n",
"nsites": 40,
"nelements": 2,
"elements": [
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],
"chemical_system": "Br-Si",
"density": 3.522829989748764,
"density_atomic": 0.030507458379023182,
"volume": 1311.1547839561704,
"volume_molar": 19.739896667828614,
"formula_full": "Si8 Br32",
"formula_reduced": "SiBr4",
"formula_anonymous": "AB4",
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"spacegroup": 205
},
{
"id": "jvasp-32854",
"created_at": "2022-09-04T14:38:04.989770Z",
"updated_at": "2022-09-04T14:38:04.989796Z",
"structure_string": "Si4 Br16\n1.0\n6.665139 0.000000 0.000000\n0.000000 9.768025 -2.134905\n0.000000 0.056684 10.093287\nSi Br\n4 16\ndirect\n0.074943 0.748101 0.862606 Si\n0.425057 0.748102 0.362606 Si\n0.925057 0.251899 0.137395 Si\n0.574944 0.251898 0.637395 Si\n0.888535 0.191936 0.581341 Br\n0.918509 0.694601 0.037665 Br\n0.111466 0.808065 0.418660 Br\n0.581492 0.694601 0.537665 Br\n0.927767 0.430430 0.308926 Br\n0.918794 0.921624 0.802458 Br\n0.581206 0.921624 0.302458 Br\n0.572233 0.430430 0.808926 Br\n0.081206 0.078376 0.197543 Br\n0.081491 0.305399 0.962336 Br\n0.611466 0.191936 0.081341 Br\n0.072233 0.569570 0.691075 Br\n0.418509 0.305399 0.462336 Br\n0.418794 0.078376 0.697543 Br\n0.388534 0.808064 0.918660 Br\n0.427767 0.569570 0.191075 Br\n",
"nsites": 20,
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"elements": [
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"Br"
],
"chemical_system": "Br-Si",
"density": 3.5102198223408596,
"density_atomic": 0.030398255221769317,
"volume": 657.9324982335585,
"volume_molar": 19.810810574704707,
"formula_full": "Si4 Br16",
"formula_reduced": "SiBr4",
"formula_anonymous": "AB4",
"energy_above_hull": 0.441893004,
"spacegroup": 14
}
]
}