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=created_at&page=4210",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=created_at&page=4208",
"results": [
{
"id": "jvasp-114581",
"created_at": "2022-09-04T14:38:42.461110Z",
"updated_at": "2022-09-04T14:38:42.461135Z",
"structure_string": "Ba1 Tl1 Te1\n1.0\n3.661081 0.000000 -0.000000\n-0.000000 3.661081 -0.000000\n0.000000 -0.000000 9.698879\nBa Tl Te\n1 1 1\ndirect\n0.000000 0.000000 0.400508 Ba\n0.000000 0.000000 0.046214 Tl\n0.000000 0.000000 0.737643 Te\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Tl",
"Te"
],
"chemical_system": "Ba-Te-Tl",
"density": 5.994720881799012,
"density_atomic": 0.023077089707756716,
"volume": 129.9990613197484,
"volume_molar": 26.095754864513207,
"formula_full": "Ba1 Tl1 Te1",
"formula_reduced": "BaTlTe",
"formula_anonymous": "ABC",
"energy_above_hull": 0.22111,
"spacegroup": 99
},
{
"id": "jvasp-115560",
"created_at": "2022-09-04T14:38:42.461665Z",
"updated_at": "2022-09-04T14:38:42.461692Z",
"structure_string": "Ba1 Tl1 Cl2\n1.0\n3.782057 0.000000 0.000000\n0.000000 3.782057 0.000000\n0.000000 0.000000 9.310380\nBa Tl Cl\n1 1 2\ndirect\n0.500000 0.500000 0.000000 Ba\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.184580 Cl\n0.000000 0.000000 0.815419 Cl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Tl",
"Cl"
],
"chemical_system": "Ba-Cl-Tl",
"density": 5.1448406870452885,
"density_atomic": 0.030035609175758576,
"volume": 133.17525796108566,
"volume_molar": 20.05000372977421,
"formula_full": "Ba1 Tl1 Cl2",
"formula_reduced": "BaTlCl2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 123
},
{
"id": "jvasp-115556",
"created_at": "2022-09-04T14:38:42.462119Z",
"updated_at": "2022-09-04T14:38:42.462135Z",
"structure_string": "Ba1 Te1 Cl1\n1.0\n0.000000 3.942556 3.942556\n3.942556 0.000000 3.942556\n3.942556 3.942556 0.000000\nBa Te Cl\n1 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.500000 0.500000 0.500000 Te\n0.000000 0.000000 0.000000 Cl\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Te",
"Cl"
],
"chemical_system": "Ba-Cl-Te",
"density": 4.069644771710152,
"density_atomic": 0.02447696950553236,
"volume": 122.56419240633244,
"volume_molar": 24.603293960221905,
"formula_full": "Ba1 Te1 Cl1",
"formula_reduced": "BaTeCl",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 216
},
{
"id": "jvasp-116610",
"created_at": "2022-09-04T14:38:42.463899Z",
"updated_at": "2022-09-04T14:38:42.463925Z",
"structure_string": "Li4 Ce4 Si6\n1.0\n9.442999 -0.002492 0.000000\n-8.413666 4.287243 0.000000\n0.000000 0.000000 6.730950\nLi Ce Si\n4 4 6\ndirect\n0.811130 0.188870 0.561255 Li\n0.188869 0.811130 0.438745 Li\n0.188869 0.811130 0.061255 Li\n0.811130 0.188870 0.938745 Li\n0.550870 0.449129 0.250000 Ce\n0.449129 0.550870 0.750000 Ce\n0.343033 0.656967 0.250000 Ce\n0.656967 0.343033 0.750000 Ce\n0.940752 0.059249 0.072050 Si\n0.059248 0.940751 0.927950 Si\n0.059248 0.940751 0.572050 Si\n0.940752 0.059249 0.427950 Si\n0.719973 0.280027 0.250000 Si\n0.280026 0.719973 0.750000 Si\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Li",
"Ce",
"Si"
],
"chemical_system": "Ce-Li-Si",
"density": 4.613780540287011,
"density_atomic": 0.051403016623313265,
"volume": 272.35755641723284,
"volume_molar": 11.71553958424441,
"formula_full": "Li4 Ce4 Si6",
"formula_reduced": "Li2Ce2Si3",
"formula_anonymous": "A2B2C3",
"energy_above_hull": 2.3836066857142857,
"spacegroup": 63
},
{
"id": "jvasp-116328",
"created_at": "2022-09-04T14:38:42.464608Z",
"updated_at": "2022-09-04T14:38:42.464648Z",
"structure_string": "Mg1 V1 O3\n1.0\n3.746440 0.000000 -0.000000\n0.000000 3.746440 0.000000\n-0.000000 -0.000000 3.746440\nMg V O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500001 0.500001 0.500001 V\n0.500001 0.500001 0.000000 O\n0.500001 0.000000 0.500001 O\n0.000000 0.500001 0.500001 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Mg",
"V",
"O"
],
"chemical_system": "Mg-O-V",
"density": 3.8918940105051023,
"density_atomic": 0.09508536092165487,
"volume": 52.584330032881994,
"volume_molar": 6.333404744566216,
"formula_full": "Mg1 V1 O3",
"formula_reduced": "MgVO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.81172275,
"spacegroup": 221
},
{
"id": "jvasp-116601",
"created_at": "2022-09-04T14:38:42.466542Z",
"updated_at": "2022-09-04T14:38:42.466574Z",
"structure_string": "Nd4 P8\n1.0\n6.594370 -0.000000 0.000000\n-0.000000 3.882130 1.083979\n0.000000 -0.010312 10.172504\nNd P\n4 8\ndirect\n0.315235 0.579911 0.641969 Nd\n0.684765 0.420090 0.358031 Nd\n0.815235 0.420090 0.858031 Nd\n0.184765 0.579911 0.141969 Nd\n0.158541 0.963922 0.836642 P\n0.841459 0.036079 0.163357 P\n0.658541 0.036079 0.663357 P\n0.341459 0.963922 0.336643 P\n0.878478 0.800542 0.546221 P\n0.121522 0.199459 0.453779 P\n0.378478 0.199459 0.953779 P\n0.621522 0.800541 0.046221 P\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Nd",
"P"
],
"chemical_system": "Nd-P",
"density": 5.257527096023098,
"density_atomic": 0.04606669769416611,
"volume": 260.4918650706686,
"volume_molar": 13.072655652420782,
"formula_full": "Nd4 P8",
"formula_reduced": "NdP2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.8728475,
"spacegroup": 14
},
{
"id": "jvasp-112255",
"created_at": "2022-09-04T14:38:42.473249Z",
"updated_at": "2022-09-04T14:38:42.473266Z",
"structure_string": "H24 C24 O4\n1.0\n6.911908 0.000000 -0.489148\n0.000000 9.920359 0.000000\n-0.080727 0.000000 6.417969\nH C O\n24 24 4\ndirect\n0.482602 0.303152 0.971585 H\n0.252795 0.875674 0.348408 H\n0.747205 0.124326 0.651592 H\n0.747205 0.375674 0.151592 H\n0.252795 0.624326 0.848408 H\n0.181940 0.739464 0.510562 H\n0.818060 0.260536 0.489438 H\n0.181940 0.760536 0.010562 H\n0.008120 0.866092 0.418259 H\n0.991880 0.133908 0.581741 H\n0.991880 0.366092 0.081741 H\n0.008120 0.633908 0.918259 H\n0.818060 0.239464 0.989438 H\n0.891285 0.931640 0.060082 H\n0.891285 0.568360 0.560082 H\n0.108715 0.431640 0.439917 H\n0.161748 0.191759 0.276171 H\n0.838252 0.808241 0.723829 H\n0.838252 0.691759 0.223829 H\n0.161747 0.308241 0.776171 H\n0.482602 0.196848 0.471585 H\n0.517398 0.803152 0.528415 H\n0.517398 0.696848 0.028415 H\n0.108715 0.068360 0.939917 H\n0.593833 0.000163 0.055883 C\n0.406167 -0.000163 0.944117 C\n0.381911 0.573331 0.251448 C\n0.618088 0.426670 0.748552 C\n0.618089 0.073330 0.248552 C\n0.159586 0.846570 0.471267 C\n0.159586 0.653430 0.971267 C\n0.840414 0.346570 0.028733 C\n0.840414 0.153430 0.528733 C\n0.593833 0.499837 0.555883 C\n0.381911 0.926670 0.751448 C\n0.406167 0.500163 0.444117 C\n0.535245 0.641613 0.174930 C\n0.749377 0.930133 0.974189 C\n0.749377 0.569867 0.474189 C\n0.250623 0.430133 0.525811 C\n0.280897 0.138630 0.212217 C\n0.719103 0.861370 0.787783 C\n0.719103 0.638630 0.287783 C\n0.280896 0.361370 0.712217 C\n0.464755 0.141613 0.325070 C\n0.535245 0.858387 0.674930 C\n0.464754 0.358387 0.825070 C\n0.250623 0.069867 0.025811 C\n0.801906 0.070817 0.345289 O\n0.198094 0.570818 0.154711 O\n0.801906 0.429183 0.845289 O\n0.198094 0.929183 0.654711 O\n",
"nsites": 52,
"nelements": 3,
"elements": [
"H",
"C",
"O"
],
"chemical_system": "C-H-O",
"density": 1.4217210428692029,
"density_atomic": 0.11826797222034739,
"volume": 439.6794755482725,
"volume_molar": 5.091945559682067,
"formula_full": "H24 C24 O4",
"formula_reduced": "H6C6O",
"formula_anonymous": "AB6C6",
"energy_above_hull": 5.096421038461538,
"spacegroup": 14
},
{
"id": "jvasp-112650",
"created_at": "2022-09-04T14:38:42.474001Z",
"updated_at": "2022-09-04T14:38:42.474032Z",
"structure_string": "Rb4 Tl1 Sb1 Cl12\n1.0\n7.207016 -0.000000 0.000000\n0.000000 7.207016 0.000000\n-0.000000 -0.000000 10.003746\nRb Tl Sb Cl\n4 1 1 12\ndirect\n0.500000 0.000000 0.773685 Rb\n-0.000000 0.500000 0.226315 Rb\n0.500000 0.000000 0.226315 Rb\n-0.000000 0.500000 0.773685 Rb\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 Sb\n0.743846 0.743846 -0.000000 Cl\n0.261637 0.261637 0.500000 Cl\n0.500000 0.500000 0.742019 Cl\n0.000000 0.000000 0.264869 Cl\n0.256155 0.743846 -0.000000 Cl\n0.738363 0.738363 0.500000 Cl\n0.256155 0.256155 -0.000000 Cl\n0.261637 0.738363 0.500000 Cl\n0.500000 0.500000 0.257981 Cl\n0.000000 0.000000 0.735131 Cl\n0.738363 0.261637 0.500000 Cl\n0.743846 0.256155 -0.000000 Cl\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Rb",
"Tl",
"Sb",
"Cl"
],
"chemical_system": "Cl-Rb-Sb-Tl",
"density": 3.494415928160209,
"density_atomic": 0.03464167448014377,
"volume": 519.6053675268325,
"volume_molar": 17.384092571656215,
"formula_full": "Rb4 Tl1 Sb1 Cl12",
"formula_reduced": "Rb4TlSbCl12",
"formula_anonymous": "ABC4D12",
"energy_above_hull": 0.0,
"spacegroup": 123
},
{
"id": "jvasp-112590",
"created_at": "2022-09-04T14:38:42.474019Z",
"updated_at": "2022-09-04T14:38:42.474046Z",
"structure_string": "Ho4 Ga12 Pt1\n1.0\n7.022179 -0.000000 -2.482715\n-3.511089 6.081385 -2.482715\n-0.000000 -0.000000 7.448145\nHo Ga Pt\n4 12 1\ndirect\n0.500000 0.500000 0.500000 Ho\n0.000000 0.000000 0.500000 Ho\n0.000000 0.500000 -0.000000 Ho\n0.500000 0.000000 -0.000000 Ho\n0.750000 0.250000 0.500000 Ga\n0.750000 0.500000 0.250000 Ga\n0.250000 0.500000 0.750000 Ga\n0.500000 0.250000 0.750000 Ga\n0.500000 0.750001 0.250000 Ga\n0.297528 0.297528 -0.000000 Ga\n0.250000 0.750001 0.500000 Ga\n0.702472 0.000000 0.702472 Ga\n0.297528 0.000000 0.297528 Ga\n0.000000 0.702472 0.702472 Ga\n0.000000 0.297528 0.297528 Ga\n0.702472 0.702472 -0.000001 Ga\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 17,
"nelements": 3,
"elements": [
"Ho",
"Ga",
"Pt"
],
"chemical_system": "Ga-Ho-Pt",
"density": 8.830672448548889,
"density_atomic": 0.053447377948686536,
"volume": 318.0698595976264,
"volume_molar": 11.267420388296136,
"formula_full": "Ho4 Ga12 Pt1",
"formula_reduced": "Ho4Ga12Pt",
"formula_anonymous": "AB4C12",
"energy_above_hull": 0.1807742098039214,
"spacegroup": 229
},
{
"id": "jvasp-116507",
"created_at": "2022-09-04T14:38:42.474699Z",
"updated_at": "2022-09-04T14:38:42.474718Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n8.667234 -0.008838 3.994169\n8.203562 2.796888 3.994169\n0.031573 0.005218 9.481292\nLi Mn Co O\n8 2 4 14\ndirect\n0.360226 0.360227 0.074462 Li\n0.057929 0.057929 0.229553 Li\n0.798990 0.798992 0.353963 Li\n0.495625 0.495627 0.494578 Li\n0.216098 0.216099 0.640309 Li\n0.928105 0.928108 0.779252 Li\n0.642642 0.642645 0.923614 Li\n0.428561 0.428562 0.295009 Li\n0.997111 0.997112 0.006748 Mn\n0.713926 0.713927 0.142833 Mn\n0.572519 0.572520 0.712468 Co\n0.284639 0.284641 0.857398 Co\n0.143570 0.143571 0.428087 Co\n0.857991 0.857993 0.568053 Co\n0.813530 0.813532 0.963210 O\n0.472013 0.472015 0.891128 O\n0.183104 0.183104 0.040859 O\n0.900019 0.900020 0.160741 O\n0.614964 0.614965 0.321646 O\n0.323731 0.323732 0.477964 O\n0.045413 0.045414 0.608744 O\n0.756525 0.756527 0.755739 O\n0.244619 0.244619 0.245436 O\n0.958572 0.958573 0.407176 O\n0.670801 0.670802 0.531374 O\n0.383440 0.383441 0.680884 O\n0.101482 0.101483 0.816204 O\n0.533831 0.533832 0.092573 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.510073211913051,
"density_atomic": 0.1216531188259732,
"volume": 230.16261539545454,
"volume_molar": 4.950255955718465,
"formula_full": "Li8 Mn2 Co4 O14",
"formula_reduced": "Li4MnCo2O7",
"formula_anonymous": "AB2C4D7",
"energy_above_hull": 2.5553188243842366,
"spacegroup": 8
},
{
"id": "jvasp-111984",
"created_at": "2022-09-04T14:38:42.478076Z",
"updated_at": "2022-09-04T14:38:42.478102Z",
"structure_string": "Ti1 Ni3 P4 O16\n1.0\n5.691368 0.000000 0.000000\n0.000000 4.714317 0.058114\n0.000000 -0.074741 9.679656\nTi Ni P O\n1 3 4 16\ndirect\n0.500000 0.942894 0.728319 Ti\n0.000000 0.062471 0.271267 Ni\n0.000000 0.436997 0.774472 Ni\n0.500000 0.566702 0.228747 Ni\n0.500000 0.113014 0.403765 P\n0.500000 0.370843 0.917981 P\n0.000000 0.614226 0.091830 P\n0.000000 0.901067 0.584855 P\n0.787531 0.752151 0.664530 O\n0.500000 0.791253 0.388910 O\n0.500000 0.685921 0.880005 O\n0.211591 0.771646 0.165621 O\n0.788409 0.771646 0.165621 O\n0.000000 0.674293 0.937005 O\n0.500000 0.320890 0.071818 O\n0.000000 0.219056 0.606614 O\n0.292545 0.216718 0.839803 O\n0.000000 0.291357 0.111076 O\n0.212469 0.752151 0.664530 O\n0.712718 0.270450 0.334348 O\n0.287282 0.270450 0.334348 O\n0.500000 0.164578 0.562220 O\n0.707455 0.216718 0.839803 O\n0.000000 0.822517 0.432508 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Ti",
"Ni",
"P",
"O"
],
"chemical_system": "Ni-O-P-Ti",
"density": 3.8603704222768904,
"density_atomic": 0.09240054503336884,
"volume": 259.73872763773005,
"volume_molar": 6.517429911073803,
"formula_full": "Ti1 Ni3 P4 O16",
"formula_reduced": "TiNi3(PO4)4",
"formula_anonymous": "AB3C4D16",
"energy_above_hull": 2.971165980555556,
"spacegroup": 6
},
{
"id": "jvasp-116315",
"created_at": "2022-09-04T14:38:42.478978Z",
"updated_at": "2022-09-04T14:38:42.479011Z",
"structure_string": "Mg1 Cl3\n1.0\n5.544409 0.567568 -0.125001\n-4.976611 -4.188843 0.348191\n-0.669328 -0.524660 -5.768429\nMg Cl\n1 3\ndirect\n0.873361 0.243885 0.611301 Mg\n-0.124946 0.249222 0.002267 Cl\n0.124944 0.761000 0.456684 Cl\n0.616783 0.733518 0.487021 Cl\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
"Cl"
],
"chemical_system": "Cl-Mg",
"density": 1.8297397733088216,
"density_atomic": 0.03373216945094021,
"volume": 118.58116643868897,
"volume_molar": 17.852811894469323,
"formula_full": "Mg1 Cl3",
"formula_reduced": "MgCl3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.2085060168749999,
"spacegroup": 1
}
]
}