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=volume&page=3530",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=volume&page=3528",
"results": [
{
"id": "jvasp-86777",
"created_at": "2022-09-04T14:36:10.935999Z",
"updated_at": "2022-09-04T14:36:10.936018Z",
"structure_string": "K2 W1 Cl6\n1.0\n5.980474 -0.000000 3.452828\n1.993492 5.638444 3.452828\n-0.000000 -0.000000 6.905656\nK W Cl\n2 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.749999 0.750001 K\n0.000000 0.000000 0.000000 W\n0.244561 0.755439 0.755440 Cl\n0.755439 0.244561 0.755440 Cl\n0.244561 0.244561 0.755440 Cl\n0.244561 0.755439 0.244562 Cl\n0.755439 0.755439 0.244562 Cl\n0.755439 0.244561 0.244561 Cl\n",
"nsites": 9,
"nelements": 3,
"elements": [
"K",
"W",
"Cl"
],
"chemical_system": "Cl-K-W",
"density": 3.3854660288915,
"density_atomic": 0.03864939417986802,
"volume": 232.8626409540977,
"volume_molar": 15.58146223967686,
"formula_full": "K2 W1 Cl6",
"formula_reduced": "K2WCl6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.7117333783333333,
"spacegroup": 225
},
{
"id": "jvasp-86175",
"created_at": "2022-09-04T14:35:57.870859Z",
"updated_at": "2022-09-04T14:35:57.870881Z",
"structure_string": "K2 W1 Cl6\n1.0\n5.980474 -0.000000 3.452828\n1.993492 5.638444 3.452828\n0.000000 -0.000000 6.905656\nK W Cl\n2 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.749999 0.750001 K\n0.000000 0.000000 0.000000 W\n0.244561 0.755439 0.755440 Cl\n0.755439 0.244561 0.755440 Cl\n0.244561 0.244561 0.755440 Cl\n0.244561 0.755439 0.244562 Cl\n0.755439 0.755439 0.244562 Cl\n0.755439 0.244561 0.244561 Cl\n",
"nsites": 9,
"nelements": 3,
"elements": [
"K",
"W",
"Cl"
],
"chemical_system": "Cl-K-W",
"density": 3.3854660288915,
"density_atomic": 0.03864939417986802,
"volume": 232.8626409540977,
"volume_molar": 15.58146223967686,
"formula_full": "K2 W1 Cl6",
"formula_reduced": "K2WCl6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.7117333783333333,
"spacegroup": 225
},
{
"id": "jvasp-38295",
"created_at": "2022-09-04T14:37:54.165296Z",
"updated_at": "2022-09-04T14:37:54.165312Z",
"structure_string": "Rb1 Sr3\n1.0\n-3.074548 3.074548 6.158841\n3.074548 -3.074548 6.158841\n3.074548 3.074548 -6.158841\nRb Sr\n1 3\ndirect\n0.000000 0.000000 0.000000 Rb\n0.750000 0.250000 0.499999 Sr\n0.250000 0.750000 0.499999 Sr\n0.500000 0.500000 0.000000 Sr\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Rb",
"Sr"
],
"chemical_system": "Rb-Sr",
"density": 2.4837946963287933,
"density_atomic": 0.017176649449630526,
"volume": 232.87428737075618,
"volume_molar": 35.0600434482846,
"formula_full": "Rb1 Sr3",
"formula_reduced": "RbSr3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 139
},
{
"id": "jvasp-43315",
"created_at": "2022-09-04T14:35:55.699393Z",
"updated_at": "2022-09-04T14:35:55.699418Z",
"structure_string": "Li4 Ni4 Sn2 O12\n1.0\n5.150018 0.102134 0.000000\n-2.499768 4.503806 0.000000\n0.000000 0.000000 9.932264\nLi Ni Sn O\n4 4 2 12\ndirect\n0.135326 0.635326 0.750000 Li\n0.364674 0.864674 0.250000 Li\n0.635326 0.135326 0.750000 Li\n0.864674 0.364674 0.250000 Li\n0.162447 0.837554 0.500000 Ni\n0.337553 0.662447 0.000000 Ni\n0.662447 0.337553 0.000000 Ni\n0.837553 0.162446 0.500000 Ni\n0.000000 0.000000 0.000000 Sn\n0.500000 0.500000 0.500000 Sn\n0.538446 0.173239 0.390038 O\n0.852694 0.852694 0.400812 O\n0.326761 0.961555 0.890038 O\n0.647306 0.647306 0.900811 O\n0.352694 0.352694 0.099189 O\n0.038446 0.673240 0.109962 O\n0.461554 0.826761 0.609962 O\n0.173239 0.538446 0.390038 O\n0.961554 0.326760 0.890038 O\n0.826761 0.461554 0.609962 O\n0.147306 0.147306 0.599189 O\n0.673239 0.038445 0.109962 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Li",
"Ni",
"Sn",
"O"
],
"chemical_system": "Li-Ni-O-Sn",
"density": 4.933249551875585,
"density_atomic": 0.09445646837534956,
"volume": 232.9115239898316,
"volume_molar": 6.3755726458767406,
"formula_full": "Li4 Ni4 Sn2 O12",
"formula_reduced": "Li2Ni2SnO6",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 1.8822197727272725,
"spacegroup": 64
},
{
"id": "jvasp-64715",
"created_at": "2022-09-04T14:35:42.221295Z",
"updated_at": "2022-09-04T14:35:42.221325Z",
"structure_string": "Ba4 Mo1 Cl1\n1.0\n0.000000 4.883512 4.883512\n4.883512 0.000000 4.883512\n4.883512 4.883512 0.000000\nBa Mo Cl\n4 1 1\ndirect\n0.122624 0.625791 0.625791 Ba\n0.625791 0.625791 0.625791 Ba\n0.625791 0.122624 0.625791 Ba\n0.625791 0.625791 0.122624 Ba\n0.000000 0.000000 0.000000 Mo\n0.250000 0.250000 0.250000 Cl\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Mo",
"Cl"
],
"chemical_system": "Ba-Cl-Mo",
"density": 4.852647139767155,
"density_atomic": 0.025758731787720156,
"volume": 232.9307222671713,
"volume_molar": 23.37902661368953,
"formula_full": "Ba4 Mo1 Cl1",
"formula_reduced": "Ba4MoCl",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.08720064125,
"spacegroup": 216
},
{
"id": "jvasp-106840",
"created_at": "2022-09-04T14:36:49.669011Z",
"updated_at": "2022-09-04T14:36:49.669038Z",
"structure_string": "Ca4 Ga1 Sn3\n1.0\n4.374316 -0.000000 0.000000\n0.000000 4.681562 0.000000\n-0.000000 -0.000000 11.374914\nCa Ga Sn\n4 1 3\ndirect\n0.000000 0.000000 0.357392 Ca\n-0.000000 0.500000 0.869391 Ca\n0.500000 0.500000 0.131548 Ca\n0.500000 0.000000 0.637592 Ca\n0.000000 0.000000 0.082132 Ga\n-0.000000 0.500000 0.584752 Sn\n0.500000 0.500000 0.413412 Sn\n0.500000 0.000000 0.923780 Sn\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ca",
"Ga",
"Sn"
],
"chemical_system": "Ca-Ga-Sn",
"density": 4.178495378547676,
"density_atomic": 0.03434321372762898,
"volume": 232.9426728507947,
"volume_molar": 17.53516956147645,
"formula_full": "Ca4 Ga1 Sn3",
"formula_reduced": "Ca4GaSn3",
"formula_anonymous": "AB3C4",
"energy_above_hull": 0.0,
"spacegroup": 25
},
{
"id": "jvasp-21626",
"created_at": "2022-09-04T14:38:33.095980Z",
"updated_at": "2022-09-04T14:38:33.096005Z",
"structure_string": "Ni4 Sb4 Se4\n1.0\n6.152967 0.000000 0.000000\n-0.000000 6.152967 0.000000\n0.000000 0.000000 6.152967\nNi Sb Se\n4 4 4\ndirect\n0.991785 0.991785 0.991785 Ni\n0.508216 0.008216 0.491784 Ni\n0.491784 0.508216 0.008216 Ni\n0.008216 0.491784 0.508216 Ni\n0.369871 0.130130 0.869871 Sb\n0.869871 0.369871 0.130130 Sb\n0.630130 0.630130 0.630130 Sb\n0.130130 0.869871 0.369871 Sb\n0.875468 0.124533 0.624533 Se\n0.124533 0.624533 0.875468 Se\n0.624533 0.875468 0.124533 Se\n0.375468 0.375468 0.375468 Se\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ni",
"Sb",
"Se"
],
"chemical_system": "Ni-Sb-Se",
"density": 7.3968657588503826,
"density_atomic": 0.05151426271505058,
"volume": 232.94519551561086,
"volume_molar": 11.690239639672745,
"formula_full": "Ni4 Sb4 Se4",
"formula_reduced": "NiSbSe",
"formula_anonymous": "ABC",
"energy_above_hull": 1.0933339555555557,
"spacegroup": 198
},
{
"id": "jvasp-20140",
"created_at": "2022-09-04T14:37:32.693607Z",
"updated_at": "2022-09-04T14:37:32.693635Z",
"structure_string": "Si6 Mo10\n1.0\n4.643276 0.000000 1.672363\n2.321638 6.870356 0.836181\n-0.006451 0.000000 7.300065\nSi Mo\n6 10\ndirect\n0.832639 0.500000 0.834724 Si\n0.667363 0.165276 0.500000 Si\n0.332638 0.834725 0.500000 Si\n0.167363 0.500000 0.165275 Si\n0.750001 0.000000 -0.000000 Si\n0.250000 0.000000 -0.000000 Si\n0.275088 0.148190 0.301634 Mo\n0.724913 0.851811 0.698366 Mo\n0.423278 0.301634 0.851811 Mo\n0.576723 0.698366 0.148189 Mo\n0.923278 0.851811 0.301633 Mo\n0.224913 0.698366 0.851811 Mo\n0.775089 0.301634 0.148189 Mo\n0.076723 0.148190 0.698366 Mo\n0.750001 0.500000 0.500000 Mo\n0.250000 0.500000 0.500000 Mo\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Si",
"Mo"
],
"chemical_system": "Mo-Si",
"density": 8.039999609336824,
"density_atomic": 0.06868332486566407,
"volume": 232.9531954268956,
"volume_molar": 8.76798083345346,
"formula_full": "Si6 Mo10",
"formula_reduced": "Si3Mo5",
"formula_anonymous": "A3B5",
"energy_above_hull": 5.6895806625,
"spacegroup": 140
},
{
"id": "jvasp-89988",
"created_at": "2022-09-04T14:35:51.435359Z",
"updated_at": "2022-09-04T14:35:51.435382Z",
"structure_string": "Te1 N2 Cl6\n1.0\n-4.883691 -4.883691 0.000000\n-4.883691 0.000000 -4.883691\n-0.000000 -4.883691 -4.883691\nTe N Cl\n1 2 6\ndirect\n0.000000 0.000000 0.000000 Te\n0.250000 0.250000 0.250000 N\n0.750000 0.750000 0.750000 N\n0.755605 0.244395 0.244395 Cl\n0.755605 0.244395 0.755605 Cl\n0.755605 0.755605 0.244395 Cl\n0.244395 0.755605 0.755605 Cl\n0.244395 0.755605 0.244395 Cl\n0.244395 0.244395 0.755605 Cl\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Te",
"N",
"Cl"
],
"chemical_system": "Cl-N-Te",
"density": 2.6255078004041694,
"density_atomic": 0.03863384927643504,
"volume": 232.95633669849218,
"volume_molar": 15.587731672580817,
"formula_full": "Te1 N2 Cl6",
"formula_reduced": "Te(NCl3)2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 1.652827630185185,
"spacegroup": 225
},
{
"id": "jvasp-116721",
"created_at": "2022-09-04T14:38:45.122659Z",
"updated_at": "2022-09-04T14:38:45.122686Z",
"structure_string": "As4 P1 Rh10\n1.0\n3.995881 -0.008022 16.167215\n1.961549 3.481301 16.167215\n-0.013759 -0.008022 16.653700\nAs P Rh\n4 1 10\ndirect\n0.601308 0.601309 0.601309 As\n0.200483 0.200484 0.200484 As\n0.799516 0.799517 0.799517 As\n0.398691 0.398692 0.398692 As\n0.000000 0.000000 0.000000 P\n0.047524 0.047524 0.047524 Rh\n0.850134 0.850135 0.850134 Rh\n0.449182 0.449182 0.449182 Rh\n0.651635 0.651636 0.651635 Rh\n0.251277 0.251278 0.251278 Rh\n0.348365 0.348365 0.348365 Rh\n0.149866 0.149866 0.149866 Rh\n0.748722 0.748723 0.748723 Rh\n0.952476 0.952477 0.952476 Rh\n0.550818 0.550819 0.550818 Rh\n",
"nsites": 15,
"nelements": 3,
"elements": [
"As",
"P",
"Rh"
],
"chemical_system": "As-P-Rh",
"density": 9.691658021306576,
"density_atomic": 0.06438612709489758,
"volume": 232.9694404183026,
"volume_molar": 9.353165086516345,
"formula_full": "As4 P1 Rh10",
"formula_reduced": "As4PRh10",
"formula_anonymous": "AB4C10",
"energy_above_hull": 3.382210166666667,
"spacegroup": 166
},
{
"id": "jvasp-58418",
"created_at": "2022-09-04T14:37:14.272432Z",
"updated_at": "2022-09-04T14:37:14.272455Z",
"structure_string": "Ti4 S8\n1.0\n5.981389 -0.000000 3.453357\n1.993796 5.639308 3.453357\n-0.000000 -0.000000 6.906713\nTi S\n4 8\ndirect\n0.500000 0.000000 0.500000 Ti\n0.000000 0.500000 0.500000 Ti\n0.500000 0.500000 0.000000 Ti\n0.500000 0.500000 0.500000 Ti\n0.748891 0.748890 0.748890 S\n0.251110 0.251110 0.746669 S\n0.251110 0.746670 0.251110 S\n0.746670 0.251110 0.251110 S\n0.251110 0.251110 0.251110 S\n0.748891 0.748890 0.253331 S\n0.253331 0.748890 0.748890 S\n0.748890 0.253331 0.748890 S\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Ti",
"S"
],
"chemical_system": "S-Ti",
"density": 3.193127102439116,
"density_atomic": 0.05150886420735713,
"volume": 232.96960988485574,
"volume_molar": 11.691464862740741,
"formula_full": "Ti4 S8",
"formula_reduced": "TiS2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.787882777777778,
"spacegroup": 227
},
{
"id": "jvasp-10740",
"created_at": "2022-09-04T14:38:11.351524Z",
"updated_at": "2022-09-04T14:38:11.351556Z",
"structure_string": "Ti4 S8\n1.0\n6.906545 0.002412 -0.001146\n-0.002157 6.906543 -0.000249\n-3.451527 -3.454449 4.884872\nTi S\n4 8\ndirect\n-0.000000 0.500053 0.499928 Ti\n0.000074 0.499972 0.999901 Ti\n0.000062 0.000115 0.500062 Ti\n0.500163 0.500069 0.000087 Ti\n0.246670 0.748839 0.497783 S\n0.751092 0.253330 0.002288 S\n0.751053 0.748893 0.002243 S\n0.751044 0.748815 0.497690 S\n0.248883 0.251064 0.502233 S\n0.248806 0.251055 -0.002297 S\n0.248816 0.746670 -0.002228 S\n0.753330 0.251115 0.502299 S\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Ti",
"S"
],
"chemical_system": "S-Ti",
"density": 3.193027679668163,
"density_atomic": 0.05150726040210797,
"volume": 232.97686396671355,
"volume_molar": 11.691828905257674,
"formula_full": "Ti4 S8",
"formula_reduced": "TiS2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.7878761111111112,
"spacegroup": 227
}
]
}