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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density_atomic&page=4169",
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"results": [
{
"id": "jvasp-5509",
"created_at": "2022-09-04T14:36:10.192765Z",
"updated_at": "2022-09-04T14:36:10.192790Z",
"structure_string": "Ga8 Br16\n1.0\n7.544973 0.000000 0.000000\n0.000000 9.914748 0.000000\n0.000000 0.000000 10.011802\nGa Br\n8 16\ndirect\n0.750000 0.000000 0.679309 Ga\n0.750000 0.500000 0.820690 Ga\n0.250000 0.000000 0.320690 Ga\n0.250000 0.500000 0.179310 Ga\n0.157125 0.250000 0.750000 Ga\n0.342875 0.750000 0.750000 Ga\n0.842875 0.750000 0.250000 Ga\n0.657125 0.250000 0.250000 Ga\n0.498489 0.545384 0.316752 Br\n0.498489 0.954617 0.183248 Br\n-0.001511 0.954617 0.816752 Br\n-0.001511 0.545384 0.683248 Br\n0.501511 0.454617 0.683248 Br\n0.501511 0.045384 0.816752 Br\n0.337390 0.185942 0.452619 Br\n0.662610 0.814058 0.547381 Br\n0.162610 0.685943 0.047381 Br\n0.162610 0.814058 0.452619 Br\n0.001511 0.454617 0.316752 Br\n0.662610 0.685943 0.952619 Br\n0.837390 0.314058 0.952619 Br\n0.837390 0.185942 0.547381 Br\n0.337390 0.314058 0.047381 Br\n0.001511 0.045384 0.183248 Br\n",
"nsites": 24,
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"elements": [
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"Br"
],
"chemical_system": "Br-Ga",
"density": 4.071259741976256,
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"volume": 748.9479260014011,
"volume_molar": 18.792790967877092,
"formula_full": "Ga8 Br16",
"formula_reduced": "GaBr2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0,
"spacegroup": 52
},
{
"id": "jvasp-72481",
"created_at": "2022-09-04T14:36:37.839719Z",
"updated_at": "2022-09-04T14:36:37.839748Z",
"structure_string": "Ga4 Ag4 Te8\n1.0\n6.380823 0.000000 0.000000\n0.000000 6.380823 0.000000\n0.000000 0.000000 12.263673\nGa Ag Te\n4 4 8\ndirect\n0.000000 0.000000 0.500000 Ga\n0.500000 0.500000 0.000000 Ga\n0.000000 0.500000 0.750000 Ga\n0.500000 0.000000 0.250000 Ga\n0.000000 0.000000 0.000000 Ag\n0.500000 0.500000 0.500000 Ag\n0.000000 0.500000 0.250000 Ag\n0.500000 0.000000 0.750000 Ag\n0.265720 0.250000 0.125000 Te\n0.765720 0.750000 0.625000 Te\n0.250000 0.734279 0.875000 Te\n0.750000 0.234280 0.375000 Te\n0.734279 0.750000 0.125000 Te\n0.234280 0.250000 0.625000 Te\n0.750000 0.265720 0.875000 Te\n0.250000 0.765720 0.375000 Te\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ga",
"Ag",
"Te"
],
"chemical_system": "Ag-Ga-Te",
"density": 5.757229645486568,
"density_atomic": 0.032043948513506296,
"volume": 499.3142462844775,
"volume_molar": 18.79337921624019,
"formula_full": "Ga4 Ag4 Te8",
"formula_reduced": "GaAgTe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.2182012795833334,
"spacegroup": 122
},
{
"id": "jvasp-109893",
"created_at": "2022-09-04T14:38:16.402719Z",
"updated_at": "2022-09-04T14:38:16.402736Z",
"structure_string": "Rb3 Ga1 Cl6\n1.0\n6.593621 -0.000000 3.806829\n2.197874 6.216526 3.806829\n-0.000000 -0.000000 7.613658\nRb Ga Cl\n3 1 6\ndirect\n0.749999 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.499999 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Ga\n0.779042 0.220958 0.220958 Cl\n0.220957 0.220958 0.779043 Cl\n0.220957 0.779043 0.779043 Cl\n0.220957 0.779043 0.220958 Cl\n0.779042 0.220958 0.779043 Cl\n0.779042 0.779043 0.220958 Cl\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Rb",
"Ga",
"Cl"
],
"chemical_system": "Cl-Ga-Rb",
"density": 2.867129912835192,
"density_atomic": 0.03204312769747057,
"volume": 312.0793979418365,
"volume_molar": 18.793860627017935,
"formula_full": "Rb3 Ga1 Cl6",
"formula_reduced": "Rb3GaCl6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-105674",
"created_at": "2022-09-04T14:35:54.765516Z",
"updated_at": "2022-09-04T14:35:54.765542Z",
"structure_string": "Na2 Li1 Y1 Br6\n1.0\n6.593707 -0.000000 3.806879\n2.197902 6.216607 3.806879\n0.000000 -0.000000 7.613757\nNa Li Y Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Y\n0.744503 0.255498 0.255498 Br\n0.255497 0.255498 0.744503 Br\n0.255497 0.744503 0.744503 Br\n0.255497 0.744503 0.255498 Br\n0.744503 0.255498 0.744503 Br\n0.744503 0.744503 0.255498 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Na",
"Li",
"Y",
"Br"
],
"chemical_system": "Br-Li-Na-Y",
"density": 3.3054736626405217,
"density_atomic": 0.03204187562427667,
"volume": 312.0915928037451,
"volume_molar": 18.79459501876756,
"formula_full": "Na2 Li1 Y1 Br6",
"formula_reduced": "Na2LiYBr6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.038227808,
"spacegroup": 225
},
{
"id": "jvasp-79480",
"created_at": "2022-09-04T14:36:40.481307Z",
"updated_at": "2022-09-04T14:36:40.481337Z",
"structure_string": "Ca3 Zn1\n1.0\n4.997917 -0.000000 -0.000000\n-0.000000 4.997917 0.000000\n-0.000000 -0.000000 4.997917\nCa Zn\n3 1\ndirect\n0.500000 0.500000 0.000000 Ca\n0.500000 0.000000 0.500000 Ca\n0.000000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Zn\n",
"nsites": 4,
"nelements": 2,
"elements": [
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"Zn"
],
"chemical_system": "Ca-Zn",
"density": 2.4692243826957547,
"density_atomic": 0.03204002694581902,
"volume": 124.8438400742971,
"volume_molar": 18.79567944865865,
"formula_full": "Ca3 Zn1",
"formula_reduced": "Ca3Zn",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0308175,
"spacegroup": 221
},
{
"id": "jvasp-77392",
"created_at": "2022-09-04T14:38:11.193633Z",
"updated_at": "2022-09-04T14:38:11.193656Z",
"structure_string": "Sr2 P1 Au1\n1.0\n-3.945041 -5.199622 -10.772450\n-3.651644 -2.296303 -1.341298\n-2.346883 1.392894 -3.599700\nSr P Au\n2 1 1\ndirect\n0.782737 -0.043710 -0.043709 Sr\n0.217263 0.043710 0.043709 Sr\n-0.000000 -0.000000 -0.000000 P\n0.500000 -0.000000 0.000000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sr",
"P",
"Au"
],
"chemical_system": "Au-P-Sr",
"density": 5.362533892763813,
"density_atomic": 0.03203919582441587,
"volume": 124.84707861961223,
"volume_molar": 18.796167023052284,
"formula_full": "Sr2 P1 Au1",
"formula_reduced": "Sr2PAu",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.3082564224999999,
"spacegroup": 166
},
{
"id": "jvasp-107805",
"created_at": "2022-09-04T14:37:49.186750Z",
"updated_at": "2022-09-04T14:37:49.186778Z",
"structure_string": "K2 Na1 Pr1 Cl6\n1.0\n6.593900 -0.000000 3.806990\n2.197967 6.216788 3.806990\n-0.000000 -0.000000 7.613980\nK Na Pr Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Pr\n0.747041 0.252959 0.252959 Cl\n0.252959 0.252959 0.747041 Cl\n0.252959 0.747041 0.747041 Cl\n0.252959 0.747041 0.252959 Cl\n0.747041 0.252959 0.747041 Cl\n0.747041 0.747041 0.252959 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Na",
"Pr",
"Cl"
],
"chemical_system": "Cl-K-Na-Pr",
"density": 2.4196964359363036,
"density_atomic": 0.032039066517596776,
"volume": 312.11895622825693,
"volume_molar": 18.79624288270842,
"formula_full": "K2 Na1 Pr1 Cl6",
"formula_reduced": "K2NaPrCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-106423",
"created_at": "2022-09-04T14:36:57.869611Z",
"updated_at": "2022-09-04T14:36:57.869627Z",
"structure_string": "K2 Ag1 Mo1 Br6\n1.0\n6.594008 -0.000000 3.807052\n2.198003 6.216890 3.807052\n-0.000000 -0.000000 7.614105\nK Ag Mo Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.749999 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.499999 Ag\n0.000000 0.000000 0.000000 Mo\n0.758352 0.241648 0.241648 Br\n0.241648 0.241648 0.758351 Br\n0.241648 0.758352 0.758351 Br\n0.241648 0.758352 0.241648 Br\n0.758352 0.241648 0.758351 Br\n0.758352 0.758352 0.241648 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Ag",
"Mo",
"Br"
],
"chemical_system": "Ag-Br-K-Mo",
"density": 4.050763447974864,
"density_atomic": 0.032037490146941794,
"volume": 312.13431370979515,
"volume_molar": 18.79716773186384,
"formula_full": "K2 Ag1 Mo1 Br6",
"formula_reduced": "K2AgMoBr6",
"formula_anonymous": "ABC2D6",
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"spacegroup": 225
},
{
"id": "jvasp-120247",
"created_at": "2022-09-04T14:38:52.581701Z",
"updated_at": "2022-09-04T14:38:52.581733Z",
"structure_string": "Hf1 Se2\n1.0\n5.908582 -0.453771 0.110525\n-0.270075 -3.787197 -1.178457\n0.168988 1.171128 -3.793915\nHf Se\n1 2\ndirect\n0.915922 0.963975 0.866266 Hf\n0.651342 0.963850 0.367012 Se\n0.180377 0.464074 0.865999 Se\n",
"nsites": 3,
"nelements": 2,
"elements": [
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],
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"density": 5.965508222137748,
"density_atomic": 0.03203691646895083,
"volume": 93.64197090901384,
"volume_molar": 18.797504328596883,
"formula_full": "Hf1 Se2",
"formula_reduced": "HfSe2",
"formula_anonymous": "AB2",
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"spacegroup": 115
},
{
"id": "jvasp-25154",
"created_at": "2022-09-04T14:37:54.478028Z",
"updated_at": "2022-09-04T14:37:54.478050Z",
"structure_string": "Tb2\n1.0\n3.575675 0.000000 0.000000\n-1.787838 3.096626 -0.000000\n0.000000 -0.000000 5.638238\nTb\n2\ndirect\n0.333333 0.666668 0.250000 Tb\n0.666668 0.333333 0.750000 Tb\n",
"nsites": 2,
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"elements": [
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],
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"density": 8.454385980956626,
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"volume": 62.42954909854197,
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"formula_full": "Tb2",
"formula_reduced": "Tb",
"formula_anonymous": "A",
"energy_above_hull": 0.0159599999999999,
"spacegroup": 194
},
{
"id": "jvasp-14626",
"created_at": "2022-09-04T14:35:52.475164Z",
"updated_at": "2022-09-04T14:35:52.475189Z",
"structure_string": "Tb2\n1.0\n1.787845 -3.096639 -0.000000\n1.787845 3.096639 -0.000000\n-0.000000 0.000000 5.638191\nTb\n2\ndirect\n0.333334 0.666668 0.750000 Tb\n0.666668 0.333334 0.250000 Tb\n",
"nsites": 2,
"nelements": 1,
"elements": [
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],
"chemical_system": "Tb",
"density": 8.454385497875014,
"density_atomic": 0.03203610973648989,
"volume": 62.429552665751814,
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"formula_full": "Tb2",
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"spacegroup": 194
},
{
"id": "jvasp-114918",
"created_at": "2022-09-04T14:38:42.347637Z",
"updated_at": "2022-09-04T14:38:42.347669Z",
"structure_string": "Sr1 Cu1 S1\n1.0\n5.017977 0.000000 -0.000000\n-2.508989 4.345696 -0.000000\n-0.000000 -0.000000 4.294316\nSr Cu S\n1 1 1\ndirect\n0.666667 0.333333 0.000000 Sr\n0.000000 0.000000 0.000000 Cu\n0.333334 0.666667 0.000000 S\n",
"nsites": 3,
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"volume": 93.64444235201799,
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"formula_full": "Sr1 Cu1 S1",
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}
]
}