HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-id&page=505",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-id&page=503",
"results": [
{
"id": "jvasp-86988",
"created_at": "2022-09-04T14:35:54.817349Z",
"updated_at": "2022-09-04T14:35:54.817376Z",
"structure_string": "Li6 P2\n1.0\n4.215268 -0.000000 0.000000\n-2.107633 3.650529 -0.000000\n0.000000 -0.000000 7.525481\nLi P\n6 2\ndirect\n0.000000 0.000000 0.250000 Li\n0.000000 0.000000 0.750000 Li\n0.333334 0.666667 0.584014 Li\n0.666668 0.333333 0.084014 Li\n0.666668 0.333333 0.415986 Li\n0.333334 0.666667 0.915986 Li\n0.333334 0.666667 0.250000 P\n0.666668 0.333333 0.750000 P\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Li",
"P"
],
"chemical_system": "Li-P",
"density": 1.4854787597785115,
"density_atomic": 0.06908356310356147,
"volume": 115.80178613554423,
"volume_molar": 8.717183204595798,
"formula_full": "Li6 P2",
"formula_reduced": "Li3P",
"formula_anonymous": "AB3",
"energy_above_hull": 1.0657488750000002,
"spacegroup": 194
},
{
"id": "jvasp-86987",
"created_at": "2022-09-04T14:35:48.677090Z",
"updated_at": "2022-09-04T14:35:48.677111Z",
"structure_string": "Sr2 B4 Rh4\n1.0\n5.411870 0.015867 -1.482961\n-2.844788 4.603887 -1.482961\n-0.013872 -0.024964 6.140899\nSr B Rh\n2 4 4\ndirect\n0.875000 0.125001 0.250000 Sr\n0.125001 0.875001 0.750001 Sr\n0.547473 0.452528 0.250000 B\n0.797474 0.202528 0.750001 B\n0.202527 0.797474 0.250000 B\n0.452528 0.547474 0.750001 B\n0.505956 0.755956 0.511912 Rh\n0.755955 0.505956 0.011912 Rh\n0.494045 0.244046 0.488089 Rh\n0.244046 0.494046 0.988090 Rh\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Sr",
"B",
"Rh"
],
"chemical_system": "B-Rh-Sr",
"density": 6.843962466020082,
"density_atomic": 0.06541011407727078,
"volume": 152.8815557206753,
"volume_molar": 9.206742481576898,
"formula_full": "Sr2 B4 Rh4",
"formula_reduced": "Sr(BRh)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.900455495333333,
"spacegroup": 70
},
{
"id": "jvasp-86982",
"created_at": "2022-09-04T14:35:43.813154Z",
"updated_at": "2022-09-04T14:35:43.813179Z",
"structure_string": "Rb1 Cr5 S8\n1.0\n3.416918 -0.000000 -0.661352\n-0.408634 8.444596 -2.111237\n-0.040848 0.013315 8.946506\nRb Cr S\n1 5 8\ndirect\n0.500001 0.500000 0.000000 Rb\n0.295814 0.665256 0.591626 Cr\n0.704188 0.334745 0.408374 Cr\n0.345096 0.024567 0.690191 Cr\n0.654905 0.975434 0.309809 Cr\n0.000000 0.000000 0.000000 Cr\n0.237814 0.154263 0.475627 S\n0.762187 0.845738 0.524374 S\n0.170094 0.488411 0.340186 S\n0.829907 0.511590 0.659814 S\n0.086264 0.824221 0.172525 S\n0.913738 0.175780 0.827475 S\n0.426180 0.845100 0.852359 S\n0.573821 0.154901 0.147641 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Rb",
"Cr",
"S"
],
"chemical_system": "Cr-Rb-S",
"density": 3.8741107102641505,
"density_atomic": 0.05425969446420271,
"volume": 258.0184082908237,
"volume_molar": 11.098736952846368,
"formula_full": "Rb1 Cr5 S8",
"formula_reduced": "RbCr5S8",
"formula_anonymous": "AB5C8",
"energy_above_hull": 3.305161928571429,
"spacegroup": 12
},
{
"id": "jvasp-86981",
"created_at": "2022-09-04T14:36:21.514841Z",
"updated_at": "2022-09-04T14:36:21.514867Z",
"structure_string": "Cu2 Ag2 O4\n1.0\n2.833375 -0.000054 0.000269\n-0.000287 5.583959 -1.892161\n0.000594 -0.026811 6.253164\nCu Ag O\n2 2 4\ndirect\n-0.000001 0.500000 0.500000 Cu\n0.499999 0.500000 0.000000 Cu\n0.499998 0.000000 0.500000 Ag\n0.000000 0.000000 0.000000 Ag\n-0.000030 0.710064 0.132410 O\n0.500029 0.289936 0.367595 O\n0.499966 0.710066 0.632405 O\n0.000027 0.289937 0.867590 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Cu",
"Ag",
"O"
],
"chemical_system": "Ag-Cu-O",
"density": 6.838221125394159,
"density_atomic": 0.08097954443297217,
"volume": 98.7903804104715,
"volume_molar": 7.436619707072574,
"formula_full": "Cu2 Ag2 O4",
"formula_reduced": "CuAgO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.9091461775,
"spacegroup": 12
},
{
"id": "jvasp-86980",
"created_at": "2022-09-04T14:36:11.334997Z",
"updated_at": "2022-09-04T14:36:11.335031Z",
"structure_string": "B5 Mo2\n1.0\n3.025410 0.008103 6.774613\n1.450482 2.655046 6.774613\n0.013618 0.008103 7.419454\nB Mo\n5 2\ndirect\n0.500000 0.500000 0.499999 B\n0.815376 0.815374 0.815374 B\n0.331314 0.331313 0.331313 B\n0.668687 0.668686 0.668685 B\n0.184625 0.184625 0.184625 B\n0.924124 0.924122 0.924122 Mo\n0.075877 0.075877 0.075877 Mo\n",
"nsites": 7,
"nelements": 2,
"elements": [
"B",
"Mo"
],
"chemical_system": "B-Mo",
"density": 6.900759558648671,
"density_atomic": 0.11828386280611289,
"volume": 59.17967027737482,
"volume_molar": 5.091261493439135,
"formula_full": "B5 Mo2",
"formula_reduced": "B5Mo2",
"formula_anonymous": "A2B5",
"energy_above_hull": 5.619647816666666,
"spacegroup": 166
},
{
"id": "jvasp-8698",
"created_at": "2022-09-04T14:37:05.368897Z",
"updated_at": "2022-09-04T14:37:05.368917Z",
"structure_string": "Kr1 F2\n1.0\n3.590063 0.000000 -1.938989\n-1.047246 3.433923 -1.938989\n0.040138 0.054204 4.367335\nKr F\n1 2\ndirect\n0.000000 0.000000 0.000000 Kr\n0.702703 0.702704 0.405410 F\n0.297295 0.297294 0.594589 F\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Kr",
"F"
],
"chemical_system": "F-Kr",
"density": 3.7044510031114384,
"density_atomic": 0.05494994256250084,
"volume": 54.59514350879908,
"volume_molar": 10.95932130074628,
"formula_full": "Kr1 F2",
"formula_reduced": "KrF2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0,
"spacegroup": 139
},
{
"id": "jvasp-86979",
"created_at": "2022-09-04T14:36:03.101866Z",
"updated_at": "2022-09-04T14:36:03.101895Z",
"structure_string": "Th2 C4\n1.0\n3.902000 -0.005297 0.808501\n1.577104 3.569086 0.808501\n0.002401 0.001562 6.766628\nTh C\n2 4\ndirect\n0.794352 0.205648 0.250000 Th\n0.205647 0.794352 0.750000 Th\n0.168393 0.431642 0.447460 C\n0.568357 0.831607 0.052540 C\n0.431642 0.168393 0.947460 C\n0.831606 0.568358 0.552540 C\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Th",
"C"
],
"chemical_system": "C-Th",
"density": 9.019623035620942,
"density_atomic": 0.06363846843395524,
"volume": 94.28259585201789,
"volume_molar": 9.463051057317397,
"formula_full": "Th2 C4",
"formula_reduced": "ThC2",
"formula_anonymous": "AB2",
"energy_above_hull": 4.438268533333334,
"spacegroup": 15
},
{
"id": "jvasp-86978",
"created_at": "2022-09-04T14:35:56.643214Z",
"updated_at": "2022-09-04T14:35:56.643232Z",
"structure_string": "Nb5 As4 Pd4\n1.0\n3.710624 0.000000 0.951189\n1.855312 7.502725 0.475594\n-0.007715 -0.000000 7.743332\nNb As Pd\n5 4 4\ndirect\n0.382884 0.305705 0.928528 Nb\n0.617116 0.694294 0.071471 Nb\n0.000000 0.000000 0.000000 Nb\n0.688588 0.928528 0.694294 Nb\n0.311412 0.071471 0.305705 Nb\n0.932239 0.823932 0.311587 As\n0.067761 0.176067 0.688412 As\n0.243828 0.688412 0.823932 As\n0.756172 0.311587 0.176067 As\n0.596151 0.293354 0.514344 Pd\n0.110495 0.485655 0.293354 Pd\n0.403849 0.706646 0.485655 Pd\n0.889505 0.514344 0.706646 Pd\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Nb",
"As",
"Pd"
],
"chemical_system": "As-Nb-Pd",
"density": 9.163347934653157,
"density_atomic": 0.060289070459827225,
"volume": 215.62780618192426,
"volume_molar": 9.988776927673431,
"formula_full": "Nb5 As4 Pd4",
"formula_reduced": "Nb5(AsPd)4",
"formula_anonymous": "A4B4C5",
"energy_above_hull": 4.067949753846154,
"spacegroup": 87
},
{
"id": "jvasp-86974",
"created_at": "2022-09-04T14:38:16.785089Z",
"updated_at": "2022-09-04T14:38:16.785122Z",
"structure_string": "Rb1 La1 Se2\n1.0\n4.277595 -0.004119 7.123388\n1.971342 3.796268 7.123387\n-0.006787 -0.004119 8.309056\nRb La Se\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Rb\n0.499999 0.500000 0.500002 La\n0.235078 0.235079 0.235080 Se\n0.764919 0.764921 0.764923 Se\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Rb",
"La",
"Se"
],
"chemical_system": "La-Rb-Se",
"density": 4.693668381510451,
"density_atomic": 0.02957512873191351,
"volume": 135.24877731753494,
"volume_molar": 20.362179365602266,
"formula_full": "Rb1 La1 Se2",
"formula_reduced": "RbLaSe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.4540179333333334,
"spacegroup": 166
},
{
"id": "jvasp-86970",
"created_at": "2022-09-04T14:35:54.531182Z",
"updated_at": "2022-09-04T14:35:54.531206Z",
"structure_string": "Ba1 Pu1 O3\n1.0\n4.404086 -0.000000 -0.000000\n0.000000 4.404086 -0.000000\n0.000000 0.000000 4.404086\nBa Pu O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Pu\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.000000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ba",
"Pu",
"O"
],
"chemical_system": "Ba-O-Pu",
"density": 8.3458025443241,
"density_atomic": 0.0585332490317998,
"volume": 85.42153532744462,
"volume_molar": 10.288410193543683,
"formula_full": "Ba1 Pu1 O3",
"formula_reduced": "BaPuO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.523353294,
"spacegroup": 221
},
{
"id": "jvasp-8697",
"created_at": "2022-09-04T14:37:05.657034Z",
"updated_at": "2022-09-04T14:37:05.657046Z",
"structure_string": "Rb4 Br2 O1\n1.0\n5.175028 -0.000000 -1.557487\n-0.468744 5.153755 -1.557487\n0.011949 0.013086 9.415925\nRb Br O\n4 2 1\ndirect\n0.843685 0.843684 0.687366 Rb\n0.156316 0.156316 0.312633 Rb\n0.000000 0.500000 -0.000000 Rb\n0.500000 0.000000 -0.000000 Rb\n0.641692 0.641691 0.283383 Br\n0.358309 0.358309 0.716616 Br\n0.000000 0.000000 0.000000 O\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Rb",
"Br",
"O"
],
"chemical_system": "Br-O-Rb",
"density": 3.4201504215404097,
"density_atomic": 0.027850560340344777,
"volume": 251.34144212745645,
"volume_molar": 21.62305061875624,
"formula_full": "Rb4 Br2 O1",
"formula_reduced": "Rb4Br2O",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.0022514285714285,
"spacegroup": 139
},
{
"id": "jvasp-86969",
"created_at": "2022-09-04T14:35:50.355244Z",
"updated_at": "2022-09-04T14:35:50.355265Z",
"structure_string": "Tb2 S4\n1.0\n3.878504 0.000000 0.000000\n0.000000 3.878526 -0.003436\n0.000000 0.007132 7.955774\nTb S\n2 4\ndirect\n0.250000 0.249955 0.273682 Tb\n0.749999 0.750045 0.726318 Tb\n0.250000 0.749996 -0.000000 S\n0.749999 0.250005 -0.000000 S\n0.749999 0.749968 0.367844 S\n0.250000 0.250033 0.632155 S\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Tb",
"S"
],
"chemical_system": "S-Tb",
"density": 6.189819774711379,
"density_atomic": 0.0501345957071532,
"volume": 119.67783753652411,
"volume_molar": 12.011946391622663,
"formula_full": "Tb2 S4",
"formula_reduced": "TbS2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.9243761333333336,
"spacegroup": 129
}
]
}