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_anonymous&page=428",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_anonymous&page=426",
"results": [
{
"id": "jvasp-64912",
"created_at": "2022-09-04T14:35:54.456882Z",
"updated_at": "2022-09-04T14:35:54.456904Z",
"structure_string": "Ta1 Be1 Br4\n1.0\n-0.000000 4.250390 4.250390\n4.250390 -0.000000 4.250390\n4.250390 4.250390 0.000000\nTa Be Br\n1 1 4\ndirect\n0.250000 0.250000 0.250000 Ta\n0.000000 0.000000 0.000000 Be\n0.624059 0.127824 0.624059 Br\n0.127824 0.624059 0.624059 Br\n0.624059 0.624059 0.624059 Br\n0.624059 0.624059 0.127824 Br\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ta",
"Be",
"Br"
],
"chemical_system": "Be-Br-Ta",
"density": 5.509875385067915,
"density_atomic": 0.03906923534065647,
"volume": 153.5735201286687,
"volume_molar": 15.414022587058938,
"formula_full": "Ta1 Be1 Br4",
"formula_reduced": "TaBeBr4",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.7777836200000006,
"spacegroup": 216
},
{
"id": "jvasp-64148",
"created_at": "2022-09-04T14:36:00.238903Z",
"updated_at": "2022-09-04T14:36:00.238940Z",
"structure_string": "Ba4 Sc1 Pb1\n1.0\n0.000000 5.073176 5.073176\n5.073176 0.000000 5.073176\n5.073176 5.073176 0.000000\nBa Sc Pb\n4 1 1\ndirect\n0.127034 0.624322 0.624322 Ba\n0.624322 0.624322 0.624322 Ba\n0.624322 0.127034 0.624322 Ba\n0.624322 0.624322 0.127034 Ba\n0.000000 0.000000 0.000000 Sc\n0.250000 0.250000 0.250000 Pb\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Sc",
"Pb"
],
"chemical_system": "Ba-Pb-Sc",
"density": 5.096397405768271,
"density_atomic": 0.022976372683171986,
"volume": 261.1378254842824,
"volume_molar": 26.210145713777734,
"formula_full": "Ba4 Sc1 Pb1",
"formula_reduced": "Ba4ScPb",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.4109949916666665,
"spacegroup": 216
},
{
"id": "jvasp-64108",
"created_at": "2022-09-04T14:36:00.334946Z",
"updated_at": "2022-09-04T14:36:00.334977Z",
"structure_string": "Ba4 Ca1 Fe1\n1.0\n-0.000000 5.137907 5.137907\n5.137907 0.000000 5.137907\n5.137907 5.137907 0.000000\nBa Ca Fe\n4 1 1\ndirect\n0.119830 0.626724 0.626724 Ba\n0.626724 0.626724 0.626724 Ba\n0.626724 0.119830 0.626724 Ba\n0.626724 0.626724 0.119830 Ba\n0.250000 0.250000 0.250000 Ca\n0.000000 0.000000 0.000000 Fe\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Ca",
"Fe"
],
"chemical_system": "Ba-Ca-Fe",
"density": 3.9498045865699347,
"density_atomic": 0.0221188497171132,
"volume": 271.2618457440778,
"volume_molar": 27.226283631470725,
"formula_full": "Ba4 Ca1 Fe1",
"formula_reduced": "Ba4CaFe",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.5415249666666666,
"spacegroup": 216
},
{
"id": "jvasp-66455",
"created_at": "2022-09-04T14:35:50.134239Z",
"updated_at": "2022-09-04T14:35:50.134267Z",
"structure_string": "Ba4 Be1 Os1\n1.0\n-0.000000 4.720978 4.720978\n4.720978 -0.000000 4.720978\n4.720978 4.720978 -0.000000\nBa Be Os\n4 1 1\ndirect\n0.122805 0.625732 0.625732 Ba\n0.625732 0.625732 0.625732 Ba\n0.625732 0.122805 0.625732 Ba\n0.625732 0.625732 0.122805 Ba\n0.250000 0.250000 0.250000 Be\n0.000000 0.000000 0.000000 Os\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Be",
"Os"
],
"chemical_system": "Ba-Be-Os",
"density": 5.906688828289507,
"density_atomic": 0.028511845231323257,
"volume": 210.43885274069774,
"volume_molar": 21.12153987628989,
"formula_full": "Ba4 Be1 Os1",
"formula_reduced": "Ba4BeOs",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.498059163333333,
"spacegroup": 216
},
{
"id": "jvasp-65191",
"created_at": "2022-09-04T14:35:50.140917Z",
"updated_at": "2022-09-04T14:35:50.140946Z",
"structure_string": "Y1 Be1 In4\n1.0\n-0.000000 4.237402 4.237402\n4.237402 -0.000000 4.237402\n4.237402 4.237402 0.000000\nY Be In\n1 1 4\ndirect\n0.250000 0.250000 0.250000 Y\n0.000000 0.000000 0.000000 Be\n0.123807 0.625398 0.625398 In\n0.625398 0.625398 0.625398 In\n0.625398 0.123807 0.625398 In\n0.625398 0.625398 0.123807 In\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Y",
"Be",
"In"
],
"chemical_system": "Be-In-Y",
"density": 6.0802780298107635,
"density_atomic": 0.0394295892588147,
"volume": 152.16998484605486,
"volume_molar": 15.273151136500156,
"formula_full": "Y1 Be1 In4",
"formula_reduced": "YBeIn4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.5652569049999998,
"spacegroup": 216
},
{
"id": "jvasp-98035",
"created_at": "2022-09-04T14:36:00.667111Z",
"updated_at": "2022-09-04T14:36:00.667136Z",
"structure_string": "La4 As4 O16\n1.0\n6.830676 -0.013089 0.000000\n-1.785298 6.827522 0.000000\n0.000000 0.000000 7.253919\nLa As O\n4 4 16\ndirect\n0.400886 0.218501 0.153314 La\n0.599115 0.781499 0.846686 La\n0.900886 0.718501 0.346686 La\n0.099115 0.281499 0.653314 La\n0.886054 0.196690 0.163056 As\n0.613946 0.303310 0.663056 As\n0.113946 0.803310 0.836944 As\n0.386054 0.696690 0.336944 As\n0.570974 0.747041 0.503898 O\n0.929026 0.752958 0.003898 O\n0.429026 0.252958 0.496102 O\n0.070974 0.247042 0.996102 O\n0.171299 0.515949 0.390290 O\n0.723899 0.116705 0.713811 O\n0.776102 0.383295 0.213811 O\n0.003679 0.108527 0.342545 O\n0.496321 0.391473 0.842545 O\n0.996321 0.891473 0.657456 O\n0.503679 0.608526 0.157456 O\n0.671300 0.015950 0.109710 O\n0.828701 0.484050 0.609711 O\n0.328700 0.984050 0.890290 O\n0.223898 0.616705 0.786189 O\n0.276101 0.883294 0.286189 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"La",
"As",
"O"
],
"chemical_system": "As-La-O",
"density": 5.457554263576822,
"density_atomic": 0.07097892348859217,
"volume": 338.12854324083,
"volume_molar": 8.484407009875104,
"formula_full": "La4 As4 O16",
"formula_reduced": "LaAsO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.135941791666667,
"spacegroup": 14
},
{
"id": "jvasp-66418",
"created_at": "2022-09-04T14:35:50.162431Z",
"updated_at": "2022-09-04T14:35:50.162459Z",
"structure_string": "Ba4 Sn1 Mo1\n1.0\n0.000000 4.947610 4.947610\n4.947610 0.000000 4.947610\n4.947610 4.947610 0.000000\nBa Sn Mo\n4 1 1\ndirect\n0.123253 0.625582 0.625582 Ba\n0.625582 0.625582 0.625582 Ba\n0.625582 0.123253 0.625582 Ba\n0.625582 0.625582 0.123253 Ba\n0.000000 0.000000 0.000000 Sn\n0.250000 0.250000 0.250000 Mo\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Sn",
"Mo"
],
"chemical_system": "Ba-Mo-Sn",
"density": 5.237236777705549,
"density_atomic": 0.024770506032811477,
"volume": 242.22355377206617,
"volume_molar": 24.31173893671352,
"formula_full": "Ba4 Sn1 Mo1",
"formula_reduced": "Ba4SnMo",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.14724858,
"spacegroup": 216
},
{
"id": "jvasp-43095",
"created_at": "2022-09-04T14:35:57.523350Z",
"updated_at": "2022-09-04T14:35:57.523375Z",
"structure_string": "Cr2 Sb2 O8\n1.0\n6.442106 0.000000 -0.000000\n0.000000 6.589225 0.000000\n0.000000 0.000000 3.126115\nCr Sb O\n2 2 8\ndirect\n0.500000 0.000000 0.500001 Cr\n0.000000 0.500000 0.500001 Cr\n0.000000 0.000000 0.000000 Sb\n0.500000 0.500000 0.000000 Sb\n0.000000 0.197349 0.500001 O\n0.000000 0.802651 0.500001 O\n0.308646 0.000000 0.000000 O\n0.691355 0.000000 0.000000 O\n0.500000 0.697350 0.500001 O\n0.500000 0.302651 0.500001 O\n0.808646 0.500000 0.000000 O\n0.191354 0.500000 0.000000 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Cr",
"Sb",
"O"
],
"chemical_system": "Cr-O-Sb",
"density": 5.95030494191263,
"density_atomic": 0.09043032500652096,
"volume": 132.6988485238185,
"volume_molar": 6.659426204169611,
"formula_full": "Cr2 Sb2 O8",
"formula_reduced": "CrSbO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.6695062500000004,
"spacegroup": 65
},
{
"id": "jvasp-64318",
"created_at": "2022-09-04T14:35:54.132556Z",
"updated_at": "2022-09-04T14:35:54.132585Z",
"structure_string": "Ba4 La1 Nb1\n1.0\n0.000000 4.950388 4.950388\n4.950388 0.000000 4.950388\n4.950388 4.950388 0.000000\nBa La Nb\n4 1 1\ndirect\n0.122269 0.625910 0.625910 Ba\n0.625910 0.625910 0.625910 Ba\n0.625910 0.122269 0.625910 Ba\n0.625910 0.625910 0.122269 Ba\n0.250000 0.250000 0.250000 La\n0.000000 0.000000 0.000000 Nb\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"La",
"Nb"
],
"chemical_system": "Ba-La-Nb",
"density": 5.345878184344061,
"density_atomic": 0.024728828173852135,
"volume": 242.63179629127364,
"volume_molar": 24.352713835294928,
"formula_full": "Ba4 La1 Nb1",
"formula_reduced": "Ba4LaNb",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.3524613799999998,
"spacegroup": 216
},
{
"id": "jvasp-43066",
"created_at": "2022-09-04T14:35:57.745336Z",
"updated_at": "2022-09-04T14:35:57.745364Z",
"structure_string": "Co1 Sb1 O4\n1.0\n5.410108 0.124155 -0.000000\n2.479362 4.810139 -0.000000\n-3.944735 -2.467147 2.763500\nCo Sb O\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Co\n0.750000 0.249999 0.500000 Sb\n0.535300 0.035299 0.500000 O\n0.203526 0.203526 0.000000 O\n0.964700 0.464699 0.500000 O\n0.796474 0.796473 0.000000 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Co",
"Sb",
"O"
],
"chemical_system": "Co-O-Sb",
"density": 5.717570201956521,
"density_atomic": 0.08442985173985666,
"volume": 71.06491218872519,
"volume_molar": 7.132715071625713,
"formula_full": "Co1 Sb1 O4",
"formula_reduced": "CoSbO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.483168500000001,
"spacegroup": 119
},
{
"id": "jvasp-107737",
"created_at": "2022-09-04T14:35:48.318508Z",
"updated_at": "2022-09-04T14:35:48.318536Z",
"structure_string": "Ti4 Cu1 Ag1\n1.0\n2.921376 -0.000000 0.000000\n0.000000 2.921376 0.000000\n-0.000000 0.000000 11.355862\nTi Cu Ag\n4 1 1\ndirect\n0.500001 0.500001 0.182307 Ti\n0.000000 0.000000 0.652918 Ti\n0.000000 0.000000 0.347082 Ti\n0.500001 0.500001 0.817693 Ti\n0.500001 0.500001 0.500000 Cu\n0.000000 0.000000 0.000000 Ag\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ti",
"Cu",
"Ag"
],
"chemical_system": "Ag-Cu-Ti",
"density": 6.217556535175374,
"density_atomic": 0.06190934796640368,
"volume": 96.91589714781065,
"volume_molar": 9.727352908429971,
"formula_full": "Ti4 Cu1 Ag1",
"formula_reduced": "Ti4CuAg",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.685370173888889,
"spacegroup": 123
},
{
"id": "jvasp-106008",
"created_at": "2022-09-04T14:35:56.912599Z",
"updated_at": "2022-09-04T14:35:56.912626Z",
"structure_string": "Pu1 Np1 B4\n1.0\n3.132346 0.000000 0.000000\n1.566174 2.712597 0.000000\n0.000000 0.000000 8.067875\nPu Np B\n1 1 4\ndirect\n0.999990 -0.000000 0.500000 Pu\n0.999990 -0.000000 0.000000 Np\n0.666654 0.666667 0.247106 B\n0.666654 0.666667 0.752893 B\n0.333320 0.333334 0.247106 B\n0.333320 0.333334 0.752893 B\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Pu",
"Np",
"B"
],
"chemical_system": "B-Np-Pu",
"density": 12.698967151880028,
"density_atomic": 0.08752600055126918,
"volume": 68.55105868210491,
"volume_molar": 6.880402077177598,
"formula_full": "Pu1 Np1 B4",
"formula_reduced": "PuNpB4",
"formula_anonymous": "ABC4",
"energy_above_hull": 6.007700055555556,
"spacegroup": 191
}
]
}