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=formula_reduced&page=871",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_reduced&page=869",
"results": [
{
"id": "jvasp-1333",
"created_at": "2022-09-04T14:35:53.196715Z",
"updated_at": "2022-09-04T14:35:53.196734Z",
"structure_string": "Ca1 S1\n1.0\n3.480036 -0.000000 2.009200\n1.160012 3.281010 2.009200\n0.000000 0.000000 4.018400\nCa S\n1 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 S\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ca",
"S"
],
"chemical_system": "Ca-S",
"density": 2.610951711117,
"density_atomic": 0.04358986659091843,
"volume": 45.88222347110103,
"volume_molar": 13.81546040623731,
"formula_full": "Ca1 S1",
"formula_reduced": "CaS",
"formula_anonymous": "AB",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-86999",
"created_at": "2022-09-04T14:35:46.138744Z",
"updated_at": "2022-09-04T14:35:46.138769Z",
"structure_string": "Ca2 Sb4\n1.0\n4.315330 0.000000 0.000000\n0.000000 4.488739 -1.199101\n0.000000 -0.100685 8.891314\nCa Sb\n2 4\ndirect\n0.250000 0.886615 0.290760 Ca\n0.750000 0.113384 0.709240 Ca\n0.250000 0.240820 0.013735 Sb\n0.750000 0.759180 0.986265 Sb\n0.250000 0.568179 0.621857 Sb\n0.750000 0.431821 0.378143 Sb\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ca",
"Sb"
],
"chemical_system": "Ca-Sb",
"density": 5.485215434337135,
"density_atomic": 0.03494320071642061,
"volume": 171.70722420915675,
"volume_molar": 17.234084561607027,
"formula_full": "Ca2 Sb4",
"formula_reduced": "CaSb2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.6536847166666668,
"spacegroup": 11
},
{
"id": "jvasp-17375",
"created_at": "2022-09-04T14:38:19.832732Z",
"updated_at": "2022-09-04T14:38:19.832754Z",
"structure_string": "Ca2 Sb2 Au2\n1.0\n2.342911 -4.058041 -0.000000\n2.342911 4.058041 0.000000\n0.000000 0.000000 8.103456\nCa Sb Au\n2 2 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.000000 0.500000 Ca\n0.333333 0.666667 0.250000 Sb\n0.666667 0.333333 0.750000 Sb\n0.333333 0.666667 0.750000 Au\n0.666667 0.333333 0.250000 Au\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ca",
"Sb",
"Au"
],
"chemical_system": "Au-Ca-Sb",
"density": 7.7332947229449465,
"density_atomic": 0.03893845848119644,
"volume": 154.0893048680247,
"volume_molar": 15.46579139209663,
"formula_full": "Ca2 Sb2 Au2",
"formula_reduced": "CaSbAu",
"formula_anonymous": "ABC",
"energy_above_hull": 0.1940546966666668,
"spacegroup": 194
},
{
"id": "jvasp-113742",
"created_at": "2022-09-04T14:38:48.472485Z",
"updated_at": "2022-09-04T14:38:48.472518Z",
"structure_string": "Ca1 Sb1 Au1\n1.0\n5.343674 -0.000000 -0.000000\n-2.671837 4.627757 0.000000\n0.000000 -0.000000 3.325205\nCa Sb Au\n1 1 1\ndirect\n0.333333 0.666667 -0.000000 Ca\n0.666666 0.333333 0.000000 Sb\n0.000000 0.000000 0.000000 Au\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ca",
"Sb",
"Au"
],
"chemical_system": "Au-Ca-Sb",
"density": 7.245663076944564,
"density_atomic": 0.03648314993779301,
"volume": 82.22974181547549,
"volume_molar": 16.50663599570838,
"formula_full": "Ca1 Sb1 Au1",
"formula_reduced": "CaSbAu",
"formula_anonymous": "ABC",
"energy_above_hull": 0.3764746966666669,
"spacegroup": 187
},
{
"id": "jvasp-113743",
"created_at": "2022-09-04T14:38:49.003978Z",
"updated_at": "2022-09-04T14:38:49.003997Z",
"structure_string": "Ca1 Sb1 Au1\n1.0\n3.127862 0.000000 0.000000\n0.000000 3.127862 -0.000000\n-0.000000 0.000000 8.828824\nCa Sb Au\n1 1 1\ndirect\n0.000000 0.000000 -0.001822 Ca\n0.000000 0.000000 0.639126 Sb\n0.000000 0.000000 0.317223 Au\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ca",
"Sb",
"Au"
],
"chemical_system": "Au-Ca-Sb",
"density": 6.897775175297968,
"density_atomic": 0.03473147499203096,
"volume": 86.37698228158584,
"volume_molar": 17.339144857457864,
"formula_full": "Ca1 Sb1 Au1",
"formula_reduced": "CaSbAu",
"formula_anonymous": "ABC",
"energy_above_hull": 0.5344146966666669,
"spacegroup": 99
},
{
"id": "jvasp-8338",
"created_at": "2022-09-04T14:37:08.426645Z",
"updated_at": "2022-09-04T14:37:08.426669Z",
"structure_string": "Ca1 Sb1 F6\n1.0\n4.950518 0.181156 3.438164\n1.893957 4.577485 3.438164\n0.260562 0.181156 6.021685\nCa Sb F\n1 1 6\ndirect\n0.500000 0.500001 0.499999 Ca\n0.000000 0.000000 0.000000 Sb\n0.384392 0.086825 0.764159 F\n0.086824 0.764160 0.384391 F\n0.235841 0.615609 0.913175 F\n0.913176 0.235843 0.615607 F\n0.615608 0.913178 0.235839 F\n0.764159 0.384393 0.086823 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ca",
"Sb",
"F"
],
"chemical_system": "Ca-F-Sb",
"density": 3.5630391079267243,
"density_atomic": 0.06223324807782443,
"volume": 128.54864958993903,
"volume_molar": 9.676725779231615,
"formula_full": "Ca1 Sb1 F6",
"formula_reduced": "CaSbF6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 148
},
{
"id": "jvasp-115800",
"created_at": "2022-09-04T14:38:39.866833Z",
"updated_at": "2022-09-04T14:38:39.866877Z",
"structure_string": "Ca1 Sb1 N1\n1.0\n4.858394 0.000000 0.000000\n-2.429197 4.207493 -0.000000\n-0.000000 0.000000 3.632939\nCa Sb N\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.666665 0.333333 0.000000 Sb\n0.333332 0.666667 0.000000 N\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ca",
"Sb",
"N"
],
"chemical_system": "Ca-N-Sb",
"density": 3.9319151831409016,
"density_atomic": 0.04039680473299193,
"volume": 74.26329928391367,
"volume_molar": 14.907468052991177,
"formula_full": "Ca1 Sb1 N1",
"formula_reduced": "CaSbN",
"formula_anonymous": "ABC",
"energy_above_hull": 2.207669923333333,
"spacegroup": 187
},
{
"id": "jvasp-10170",
"created_at": "2022-09-04T14:36:53.116151Z",
"updated_at": "2022-09-04T14:36:53.116182Z",
"structure_string": "Ca2 Sb4 O8\n1.0\n3.510427 0.000079 0.003303\n1.755056 6.607344 0.015605\n1.746214 1.744827 9.994109\nCa Sb O\n2 4 8\ndirect\n0.748724 0.733479 0.760937 Ca\n0.248951 0.233454 0.260948 Ca\n0.387876 0.303790 0.912180 Sb\n0.888187 0.803776 0.412128 Sb\n0.109478 0.163163 0.609762 Sb\n0.609788 0.663151 0.109709 Sb\n0.082562 0.597404 0.229760 O\n0.582327 0.097439 0.729793 O\n0.415344 0.869494 0.292093 O\n0.915109 0.369528 0.792127 O\n0.761562 0.357055 0.112124 O\n0.261343 0.857087 0.612163 O\n0.236112 0.609884 0.909759 O\n0.736332 0.109852 0.409718 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ca",
"Sb",
"O"
],
"chemical_system": "Ca-O-Sb",
"density": 4.982606536559032,
"density_atomic": 0.06042703229746522,
"volume": 231.68438805801273,
"volume_molar": 9.965971405570112,
"formula_full": "Ca2 Sb4 O8",
"formula_reduced": "Ca(SbO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.7469766599999998,
"spacegroup": 12
},
{
"id": "jvasp-9917",
"created_at": "2022-09-04T14:38:32.920480Z",
"updated_at": "2022-09-04T14:38:32.920506Z",
"structure_string": "Ca2 Sb4 O8\n1.0\n3.332910 -0.000000 0.000000\n-1.666456 5.589285 -0.000000\n-0.000000 0.000000 11.150973\nCa Sb O\n2 4 8\ndirect\n0.383412 0.766826 0.750000 Ca\n0.616586 0.233174 0.250000 Ca\n0.868216 0.736435 0.078479 Sb\n0.131783 0.263565 0.921521 Sb\n0.868216 0.736435 0.421521 Sb\n0.131783 0.263565 0.578479 Sb\n0.228919 0.457840 0.376854 O\n0.771079 0.542160 0.623146 O\n0.771079 0.542160 0.876854 O\n0.228919 0.457840 0.123146 O\n0.965432 0.930868 0.250000 O\n0.034566 0.069131 0.750000 O\n0.500000 0.000000 0.000000 O\n0.500000 0.000000 0.500000 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ca",
"Sb",
"O"
],
"chemical_system": "Ca-O-Sb",
"density": 5.557260534773063,
"density_atomic": 0.06739620304276901,
"volume": 207.72683575535743,
"volume_molar": 8.935430318201167,
"formula_full": "Ca2 Sb4 O8",
"formula_reduced": "Ca(SbO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.776452374285714,
"spacegroup": 63
},
{
"id": "jvasp-10028",
"created_at": "2022-09-04T14:37:27.992265Z",
"updated_at": "2022-09-04T14:37:27.992286Z",
"structure_string": "Ca2 Sb4 O8\n1.0\n6.773830 -0.393449 -0.047767\n3.046179 6.063032 -0.047767\n3.234334 1.867344 5.281645\nCa Sb O\n2 4 8\ndirect\n0.125000 0.624999 0.625000 Ca\n0.625000 0.124999 0.625000 Ca\n0.020512 0.020512 0.979488 Sb\n0.229487 0.229487 0.270513 Sb\n0.625000 0.625000 0.124999 Sb\n0.625000 0.624999 0.625000 Sb\n0.371143 0.371143 0.378843 O\n0.406319 0.843200 0.375241 O\n0.371143 0.371142 0.878871 O\n0.843201 0.406318 0.375241 O\n0.406800 0.843680 0.874759 O\n0.843681 0.406799 0.874759 O\n0.878857 0.878856 0.371129 O\n0.878857 0.878856 0.871157 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ca",
"Sb",
"O"
],
"chemical_system": "Ca-O-Sb",
"density": 5.140295300362479,
"density_atomic": 0.062339417703252985,
"volume": 224.5770094716405,
"volume_molar": 9.660245446414802,
"formula_full": "Ca2 Sb4 O8",
"formula_reduced": "Ca(SbO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.7681180885714285,
"spacegroup": 74
},
{
"id": "jvasp-9671",
"created_at": "2022-09-04T14:37:58.529625Z",
"updated_at": "2022-09-04T14:37:58.529641Z",
"structure_string": "Ca2 Sb4 O8\n1.0\n6.725809 -0.624638 0.026753\n-0.712306 6.717121 0.035910\n-3.030450 -3.076242 5.194411\nCa Sb O\n2 4 8\ndirect\n0.125235 0.875227 0.750001 Ca\n0.875012 0.125000 0.249995 Ca\n0.509392 0.000645 0.451094 Sb\n0.441675 0.490547 0.491260 Sb\n-0.000724 0.450388 0.008706 Sb\n0.549583 0.558358 0.048948 Sb\n0.702603 0.320881 0.009275 O\n0.311597 0.193337 0.490746 O\n0.806568 0.297311 0.618229 O\n0.057825 0.174642 0.003330 O\n0.171321 0.554495 0.496664 O\n0.825358 0.828685 0.383192 O\n0.679064 0.688344 -0.118274 O\n0.445484 0.942135 0.116827 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ca",
"Sb",
"O"
],
"chemical_system": "Ca-O-Sb",
"density": 4.938016717391309,
"density_atomic": 0.059886265045783545,
"volume": 233.7764759464776,
"volume_molar": 10.055963175188873,
"formula_full": "Ca2 Sb4 O8",
"formula_reduced": "Ca(SbO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.7481223742857142,
"spacegroup": 82
},
{
"id": "jvasp-10734",
"created_at": "2022-09-04T14:38:14.427411Z",
"updated_at": "2022-09-04T14:38:14.427427Z",
"structure_string": "Ca1 Sb4 O8\n1.0\n3.250893 -0.000038 -0.000081\n-1.625261 7.964010 -0.052142\n-1.625178 -2.421378 7.727750\nCa Sb O\n1 4 8\ndirect\n0.522871 0.106278 0.939587 Ca\n0.739423 0.136644 0.342323 Sb\n0.620934 0.499349 0.742650 Sb\n0.335704 0.496293 0.175252 Sb\n0.188309 0.830594 0.546186 Sb\n0.532796 0.644665 0.421066 O\n0.794447 0.351401 0.237618 O\n0.165003 0.642799 0.687348 O\n0.410694 0.301887 0.519632 O\n0.113369 0.070316 0.156525 O\n0.133642 0.325948 0.941463 O\n0.835312 0.940244 0.730537 O\n0.879359 0.629686 0.129171 O\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Ca",
"Sb",
"O"
],
"chemical_system": "Ca-O-Sb",
"density": 5.44846027089127,
"density_atomic": 0.0651105993502925,
"volume": 199.6602723630373,
"volume_molar": 9.249094341154988,
"formula_full": "Ca1 Sb4 O8",
"formula_reduced": "Ca(SbO2)4",
"formula_anonymous": "AB4C8",
"energy_above_hull": 2.2652871400000003,
"spacegroup": 8
}
]
}