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{
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"results": [
{
"id": "jvasp-4080",
"created_at": "2022-09-04T14:36:46.004371Z",
"updated_at": "2022-09-04T14:36:46.004398Z",
"structure_string": "Pd1 Se2 Br6\n1.0\n4.655152 -0.134872 -0.123127\n-0.413425 7.000646 0.003691\n-1.029467 -2.515726 8.539883\nPd Se Br\n1 2 6\ndirect\n0.000000 0.500000 0.500000 Pd\n0.661365 0.260889 0.288119 Se\n0.338635 0.739111 0.711880 Se\n0.325002 0.638954 0.347786 Br\n0.674998 0.361046 0.652213 Br\n0.737853 0.306874 0.043785 Br\n0.077726 0.020439 0.714976 Br\n0.922273 -0.020439 0.285023 Br\n0.262146 0.693126 0.956214 Br\n",
"nsites": 9,
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"formula_full": "Pd1 Se2 Br6",
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{
"id": "jvasp-54894",
"created_at": "2022-09-04T14:37:28.095796Z",
"updated_at": "2022-09-04T14:37:28.095823Z",
"structure_string": "Pr3 Sn1\n1.0\n4.973831 0.000000 0.000000\n-0.000000 4.973831 0.000000\n0.000000 0.000000 4.973831\nPr Sn\n3 1\ndirect\n0.000000 0.500000 0.500000 Pr\n0.500000 0.000000 0.500000 Pr\n0.500000 0.500000 0.000000 Pr\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 4,
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"volume": 123.04757932745039,
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{
"id": "jvasp-109703",
"created_at": "2022-09-04T14:38:20.676291Z",
"updated_at": "2022-09-04T14:38:20.676322Z",
"structure_string": "Na1 Sb1 Te2\n1.0\n4.461014 0.000000 0.000000\n0.000000 4.461014 0.000000\n-0.000000 0.000000 6.182971\nNa Sb Te\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.500000 Sb\n0.000000 0.000000 0.500000 Te\n0.500000 0.500000 -0.000000 Te\n",
"nsites": 4,
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"density_atomic": 0.03250840108694023,
"volume": 123.04511653164452,
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"formula_full": "Na1 Sb1 Te2",
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"formula_anonymous": "ABC2",
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"spacegroup": 123
},
{
"id": "jvasp-59094",
"created_at": "2022-09-04T14:38:36.373626Z",
"updated_at": "2022-09-04T14:38:36.373652Z",
"structure_string": "Na10 Ca1 Sn12\n1.0\n9.166576 -0.000000 -3.240874\n-4.583288 7.938488 -3.240874\n0.000000 0.000000 9.722621\nNa Ca Sn\n10 1 12\ndirect\n0.500000 0.250000 0.750000 Na\n-0.000000 -0.000000 0.384795 Na\n-0.000000 0.384795 0.000000 Na\n0.384795 0.000000 0.000000 Na\n0.615205 0.615205 0.615206 Na\n0.500000 0.750000 0.250001 Na\n0.250000 0.750000 0.500000 Na\n0.750000 0.250000 0.500000 Na\n0.250000 0.500000 0.750000 Na\n0.750000 0.500000 0.250001 Na\n0.000000 0.000000 0.000000 Ca\n0.810701 0.627140 0.000001 Sn\n-0.000000 0.810701 0.627140 Sn\n0.816441 0.189300 0.189300 Sn\n0.189300 0.816441 0.189300 Sn\n0.810701 -0.000000 0.627140 Sn\n0.189300 0.189300 0.816440 Sn\n-0.000000 0.627140 0.810701 Sn\n0.183560 0.372860 0.372860 Sn\n0.372860 0.183560 0.372860 Sn\n0.627140 0.810701 0.000001 Sn\n0.627140 -0.000000 0.810701 Sn\n0.372860 0.372860 0.183560 Sn\n",
"nsites": 23,
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"elements": [
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"Ca",
"Sn"
],
"chemical_system": "Ca-Na-Sn",
"density": 3.977052040285352,
"density_atomic": 0.03250869553987026,
"volume": 707.5030116724208,
"volume_molar": 18.52470749745757,
"formula_full": "Na10 Ca1 Sn12",
"formula_reduced": "Na10CaSn12",
"formula_anonymous": "AB10C12",
"energy_above_hull": 0.0,
"spacegroup": 217
},
{
"id": "jvasp-69143",
"created_at": "2022-09-04T14:36:20.326395Z",
"updated_at": "2022-09-04T14:36:20.326415Z",
"structure_string": "Ba1 Zn1 Se2\n1.0\n4.263835 0.000000 0.000000\n0.000000 4.264616 0.000000\n0.000000 0.000000 6.766278\nBa Zn Se\n1 1 2\ndirect\n0.499999 0.500000 0.844194 Ba\n0.000000 0.000000 0.319635 Zn\n0.000000 0.000000 0.964454 Se\n0.499999 0.500000 0.371718 Se\n",
"nsites": 4,
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"elements": [
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"Zn",
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"volume": 123.0354209453993,
"volume_molar": 18.523415584976174,
"formula_full": "Ba1 Zn1 Se2",
"formula_reduced": "BaZnSe2",
"formula_anonymous": "ABC2",
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"spacegroup": 99
},
{
"id": "jvasp-18353",
"created_at": "2022-09-04T14:38:09.657924Z",
"updated_at": "2022-09-04T14:38:09.657952Z",
"structure_string": "Er1 Bi1\n1.0\n3.837374 -0.000000 2.215509\n1.279125 3.617911 2.215509\n-0.000000 -0.000000 4.431017\nEr Bi\n1 1\ndirect\n0.499999 0.500000 0.500001 Er\n0.000000 0.000000 0.000000 Bi\n",
"nsites": 2,
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"elements": [
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"density": 10.155889024734396,
"density_atomic": 0.032511317672218966,
"volume": 61.51703908663803,
"volume_molar": 18.5232134259078,
"formula_full": "Er1 Bi1",
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"formula_anonymous": "AB",
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"spacegroup": 225
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{
"id": "jvasp-65253",
"created_at": "2022-09-04T14:36:17.143162Z",
"updated_at": "2022-09-04T14:36:17.143187Z",
"structure_string": "Be1 Bi4 Pd1\n1.0\n0.000000 4.518537 4.518537\n4.518537 -0.000000 4.518537\n4.518537 4.518537 0.000000\nBe Bi Pd\n1 4 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.124463 0.625179 0.625179 Bi\n0.625179 0.625179 0.625179 Bi\n0.625179 0.124463 0.625179 Bi\n0.625179 0.625179 0.124463 Bi\n0.250000 0.250000 0.250000 Pd\n",
"nsites": 6,
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"elements": [
"Be",
"Bi",
"Pd"
],
"chemical_system": "Be-Bi-Pd",
"density": 8.561850145022314,
"density_atomic": 0.03251829197468984,
"volume": 184.5115359893446,
"volume_molar": 18.519240692860652,
"formula_full": "Be1 Bi4 Pd1",
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"formula_anonymous": "ABC4",
"energy_above_hull": 1.4588248333333331,
"spacegroup": 216
},
{
"id": "jvasp-28607",
"created_at": "2022-09-04T14:38:03.183220Z",
"updated_at": "2022-09-04T14:38:03.183241Z",
"structure_string": "Te2 Mo1 W3 Se4 S2\n1.0\n3.349654 -0.000000 -0.000001\n-1.674827 2.900893 0.000009\n-0.000006 0.000108 37.976645\nTe Mo W Se S\n2 1 3 4 2\ndirect\n0.333350 0.666706 0.332005 Te\n0.333355 0.666711 0.231393 Te\n0.333284 0.666571 0.093956 Mo\n0.333311 0.666627 0.469763 W\n0.666689 0.333383 0.281809 W\n0.666690 0.333387 0.657498 W\n0.333358 0.666718 0.701501 Se\n0.666649 0.333301 0.425622 Se\n0.666647 0.333292 0.513831 Se\n0.333361 0.666727 0.613410 Se\n0.666645 0.333291 0.054057 S\n0.666641 0.333283 0.133901 S\n",
"nsites": 12,
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"elements": [
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"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-Te-W",
"density": 5.771679899714539,
"density_atomic": 0.03251868625223662,
"volume": 369.0185977047165,
"volume_molar": 18.519016153630133,
"formula_full": "Te2 Mo1 W3 Se4 S2",
"formula_reduced": "Te2MoW3(Se2S)2",
"formula_anonymous": "AB2C2D3E4",
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"spacegroup": 156
},
{
"id": "jvasp-11212",
"created_at": "2022-09-04T14:37:18.621862Z",
"updated_at": "2022-09-04T14:37:18.621871Z",
"structure_string": "K4 As4 Se8\n1.0\n6.509470 0.169400 -0.065717\n-2.014537 6.192250 -0.069593\n-2.290482 -3.233751 12.172634\nK As Se\n4 4 8\ndirect\n0.219649 0.218250 0.264484 K\n0.411574 0.899652 0.496829 K\n0.779507 0.658398 0.764484 K\n0.460898 0.850320 0.996828 K\n0.841362 0.603427 0.175136 As\n0.880102 0.458016 0.444165 As\n0.164684 0.280108 0.675139 As\n0.019272 0.318844 0.944164 As\n0.229669 0.692006 0.206929 Se\n0.673996 0.382893 0.976231 Se\n0.563408 0.451016 0.504761 Se\n0.724970 0.263557 0.241410 Se\n0.253264 0.668407 0.706926 Se\n0.944148 0.112732 0.476235 Se\n0.012268 0.002154 0.004763 Se\n0.824825 0.163719 0.741413 Se\n",
"nsites": 16,
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"elements": [
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],
"chemical_system": "As-K-Se",
"density": 3.6711727632014775,
"density_atomic": 0.03251941938923653,
"volume": 492.013704441961,
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"formula_full": "K4 As4 Se8",
"formula_reduced": "KAsSe2",
"formula_anonymous": "ABC2",
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"spacegroup": 9
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{
"id": "jvasp-3582",
"created_at": "2022-09-04T14:36:19.549741Z",
"updated_at": "2022-09-04T14:36:19.549775Z",
"structure_string": "K2 Re1 Br6\n1.0\n6.334751 0.000000 3.657370\n2.111584 5.972460 3.657370\n0.000000 0.000000 7.314740\nK Re Br\n2 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.749999 0.750000 0.750000 K\n0.000000 0.000000 0.000000 Re\n0.755572 0.244428 0.244428 Br\n0.755572 0.755572 0.244428 Br\n0.755572 0.244428 0.755572 Br\n0.244428 0.244428 0.755572 Br\n0.244427 0.755572 0.244428 Br\n0.244427 0.755572 0.755572 Br\n",
"nsites": 9,
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"elements": [
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],
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"volume": 276.74621664161094,
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"formula_full": "K2 Re1 Br6",
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"spacegroup": 225
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{
"id": "jvasp-110546",
"created_at": "2022-09-04T14:38:37.456095Z",
"updated_at": "2022-09-04T14:38:37.456120Z",
"structure_string": "Sb4 Te3 Se3\n1.0\n10.238774 -0.015413 1.210117\n9.378576 4.107920 1.210117\n0.015239 0.003179 7.287659\nSb Te Se\n4 3 3\ndirect\n0.908399 0.908400 0.702471 Sb\n0.406540 0.406541 0.191742 Sb\n0.588662 0.588663 0.803076 Sb\n0.091551 0.091552 0.302696 Sb\n0.819609 0.819610 0.393205 Te\n0.178005 0.178005 0.610583 Te\n0.678901 0.678902 0.103137 Te\n0.497501 0.497502 0.501298 Se\n0.999031 0.999032 0.000719 Se\n0.331798 0.331799 0.891079 Se\n",
"nsites": 10,
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"spacegroup": 8
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{
"id": "jvasp-90596",
"created_at": "2022-09-04T14:35:58.084534Z",
"updated_at": "2022-09-04T14:35:58.084553Z",
"structure_string": "Mg4 Ga4\n1.0\n6.265750 -0.000000 -0.000000\n-0.000000 6.265750 -0.000000\n-0.000000 -0.000000 6.265750\nMg Ga\n4 4\ndirect\n0.250000 0.250000 0.750000 Mg\n0.250000 0.750000 0.250000 Mg\n0.750000 0.250000 0.250000 Mg\n0.750000 0.750000 0.750000 Mg\n0.500000 0.000000 0.500000 Ga\n0.500000 0.500000 0.000000 Ga\n0.000000 0.000000 0.000000 Ga\n0.000000 0.500000 0.500000 Ga\n",
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}
]
}