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=4467",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-created_at&page=4465",
"results": [
{
"id": "jvasp-68002",
"created_at": "2022-09-04T14:35:46.581841Z",
"updated_at": "2022-09-04T14:35:46.581856Z",
"structure_string": "K2 Be1 Fe1\n1.0\n-2.604636 2.604636 3.690678\n2.604636 -2.604636 3.690678\n2.604636 2.604636 -3.690678\nK Be Fe\n2 1 1\ndirect\n0.000000 0.000000 0.000000 K\n0.250000 0.750001 0.500001 K\n0.500000 0.500000 0.000000 Be\n0.750001 0.250000 0.500001 Fe\n",
"nsites": 4,
"nelements": 3,
"elements": [
"K",
"Be",
"Fe"
],
"chemical_system": "Be-Fe-K",
"density": 2.3718554415454154,
"density_atomic": 0.03993923722001161,
"volume": 100.15213805825502,
"volume_molar": 15.078256820044121,
"formula_full": "K2 Be1 Fe1",
"formula_reduced": "K2BeFe",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.1352869,
"spacegroup": 216
},
{
"id": "jvasp-97887",
"created_at": "2022-09-04T14:35:46.575157Z",
"updated_at": "2022-09-04T14:35:46.575179Z",
"structure_string": "K4 V5 Cu1 Cl1 O15\n1.0\n5.296948 0.000000 -0.000000\n-0.000000 8.942242 0.000000\n0.000000 -0.000000 8.942242\nK V Cu Cl O\n4 5 1 1 15\ndirect\n0.419628 0.681251 0.155748 K\n0.419628 0.844252 0.681251 K\n0.419628 0.155748 0.318749 K\n0.419628 0.318749 0.844252 K\n0.863574 0.500000 0.500000 V\n0.895222 0.138653 0.629135 V\n0.895222 0.370864 0.138653 V\n0.895222 0.629135 0.861347 V\n0.895222 0.861347 0.370864 V\n0.830419 0.000000 0.000000 Cu\n0.297179 0.000000 0.000000 Cl\n0.790970 0.197136 0.096289 O\n0.168774 0.500000 0.500000 O\n0.767001 0.314832 0.581751 O\n0.208409 0.620735 0.860473 O\n0.767001 0.581751 0.685168 O\n0.790970 0.903711 0.197136 O\n0.771677 0.500000 -0.000000 O\n0.767001 0.418249 0.314832 O\n0.208409 0.139527 0.620735 O\n0.767001 0.685168 0.418249 O\n0.771677 0.000000 0.500000 O\n0.208409 0.860473 0.379265 O\n0.790970 0.802864 0.903711 O\n0.208409 0.379265 0.139527 O\n0.790970 0.096289 0.802864 O\n",
"nsites": 26,
"nelements": 5,
"elements": [
"K",
"V",
"Cu",
"Cl",
"O"
],
"chemical_system": "Cl-Cu-K-O-V",
"density": 2.9406567301224196,
"density_atomic": 0.06138394567559879,
"volume": 423.5635183408463,
"volume_molar": 9.810612031728532,
"formula_full": "K4 V5 Cu1 Cl1 O15",
"formula_reduced": "K4V5CuClO15",
"formula_anonymous": "ABC4D5E15",
"energy_above_hull": 2.564155385288461,
"spacegroup": 75
},
{
"id": "jvasp-66408",
"created_at": "2022-09-04T14:35:46.572497Z",
"updated_at": "2022-09-04T14:35:46.572531Z",
"structure_string": "Ba1 Mg1 Mn1\n1.0\n0.000000 3.891909 3.891909\n3.891909 0.000000 3.891909\n3.891909 3.891909 -0.000000\nBa Mg Mn\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mn\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Mg",
"Mn"
],
"chemical_system": "Ba-Mg-Mn",
"density": 3.0502080101583657,
"density_atomic": 0.025445045261177808,
"volume": 117.90114614483241,
"volume_molar": 23.667243261650405,
"formula_full": "Ba1 Mg1 Mn1",
"formula_reduced": "BaMgMn",
"formula_anonymous": "ABC",
"energy_above_hull": 1.2513674204597698,
"spacegroup": 216
},
{
"id": "jvasp-71787",
"created_at": "2022-09-04T14:35:46.571285Z",
"updated_at": "2022-09-04T14:35:46.571312Z",
"structure_string": "Be1 Si2 W1\n1.0\n-1.799241 1.799241 4.004020\n1.799241 -1.799241 4.004020\n1.799241 1.799241 -4.004020\nBe Si W\n1 2 1\ndirect\n0.750000 0.250000 0.500000 Be\n0.000000 0.000000 0.000000 Si\n0.250000 0.750000 0.500000 Si\n0.500000 0.500000 0.000000 W\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Si",
"W"
],
"chemical_system": "Be-Si-W",
"density": 7.975427441517685,
"density_atomic": 0.07714807321124667,
"volume": 51.848346089567386,
"volume_molar": 7.80595095811426,
"formula_full": "Be1 Si2 W1",
"formula_reduced": "BeSi2W",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.061540825,
"spacegroup": 119
},
{
"id": "jvasp-93832",
"created_at": "2022-09-04T14:35:46.567895Z",
"updated_at": "2022-09-04T14:35:46.567924Z",
"structure_string": "Ca2 Cl2 O2\n1.0\n-1.968600 -3.409615 0.000000\n-1.968600 3.409615 0.000000\n0.000000 0.000000 -9.191588\nCa Cl O\n2 2 2\ndirect\n0.333332 0.666668 0.812242 Ca\n0.666668 0.333332 0.312242 Ca\n0.333322 0.666678 0.506190 Cl\n0.666678 0.333322 0.006189 Cl\n0.000007 0.999993 0.264569 O\n0.999993 0.000007 0.764569 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ca",
"Cl",
"O"
],
"chemical_system": "Ca-Cl-O",
"density": 2.4635483176868047,
"density_atomic": 0.04862592562678002,
"volume": 123.39096732167064,
"volume_molar": 12.384629562061015,
"formula_full": "Ca2 Cl2 O2",
"formula_reduced": "CaClO",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 186
},
{
"id": "jvasp-97658",
"created_at": "2022-09-04T14:35:46.563608Z",
"updated_at": "2022-09-04T14:35:46.563634Z",
"structure_string": "Pb8 O12\n1.0\n5.763583 -0.798734 0.000462\n-0.969994 6.708040 -0.000085\n-0.000498 -0.000195 8.226025\nPb O\n8 12\ndirect\n-0.000001 0.000011 0.250000 Pb\n0.537649 0.140789 0.500007 Pb\n0.000007 0.500003 0.749992 Pb\n0.462356 0.859194 0.000011 Pb\n0.462345 0.359198 -0.000020 Pb\n-0.000017 -0.000007 0.750009 Pb\n-0.000002 0.500005 0.250002 Pb\n0.537641 0.640806 0.499987 Pb\n0.256463 0.811950 0.288940 O\n0.256461 0.311949 0.288954 O\n0.743540 0.688048 0.788952 O\n0.256457 0.311925 0.711055 O\n0.743547 0.688065 0.211059 O\n0.256454 0.811941 0.711050 O\n-0.155145 0.961677 0.500003 O\n0.743534 0.188055 0.788945 O\n0.155157 0.538332 -0.000003 O\n0.844859 0.461671 0.499999 O\n0.743542 0.188055 0.211053 O\n0.155150 0.038331 0.000001 O\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Pb",
"O"
],
"chemical_system": "O-Pb",
"density": 9.854585267621616,
"density_atomic": 0.06417163781514315,
"volume": 311.66416630370657,
"volume_molar": 9.384427396644849,
"formula_full": "Pb8 O12",
"formula_reduced": "Pb2O3",
"formula_anonymous": "A2B3",
"energy_above_hull": 1.4234724279999995,
"spacegroup": 63
},
{
"id": "jvasp-74983",
"created_at": "2022-09-04T14:35:46.559900Z",
"updated_at": "2022-09-04T14:35:46.559930Z",
"structure_string": "K2 Be1 Pd1\n1.0\n5.984961 -0.000000 -0.000000\n-0.000000 5.984961 -0.000000\n0.000000 0.000000 3.009872\nK Be Pd\n2 1 1\ndirect\n0.500000 0.000000 0.000000 K\n0.000000 0.500000 0.000000 K\n0.000000 0.000000 0.500000 Be\n0.500000 0.500000 0.500000 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"K",
"Be",
"Pd"
],
"chemical_system": "Be-K-Pd",
"density": 2.982279441514645,
"density_atomic": 0.03710131604021941,
"volume": 107.81288716723226,
"volume_molar": 16.231609556576757,
"formula_full": "K2 Be1 Pd1",
"formula_reduced": "K2BePd",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.55656445,
"spacegroup": 123
},
{
"id": "jvasp-15650",
"created_at": "2022-09-04T14:35:46.549321Z",
"updated_at": "2022-09-04T14:35:46.549343Z",
"structure_string": "Ca2 Cu1 O3\n1.0\n3.154500 0.000000 -0.802188\n-0.277163 3.643595 -1.089907\n-0.003865 -0.024912 6.588228\nCa Cu O\n2 1 3\ndirect\n0.350662 0.850662 0.701325 Ca\n0.649337 0.149337 0.298674 Ca\n0.000000 0.499999 -0.000000 Cu\n0.000000 0.000000 0.000000 O\n0.839069 0.339070 0.678139 O\n0.160930 0.660929 0.321860 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ca",
"Cu",
"O"
],
"chemical_system": "Ca-Cu-O",
"density": 4.209500814103924,
"density_atomic": 0.07934328636265037,
"volume": 75.62076484425036,
"volume_molar": 7.589981504515586,
"formula_full": "Ca2 Cu1 O3",
"formula_reduced": "Ca2CuO3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.6913902983333332,
"spacegroup": 71
},
{
"id": "jvasp-36936",
"created_at": "2022-09-04T14:35:46.548962Z",
"updated_at": "2022-09-04T14:35:46.548983Z",
"structure_string": "Cu2 Ag2 F6\n1.0\n4.850477 -0.021082 2.756941\n1.594312 4.581020 2.756941\n-0.029795 -0.021082 5.579154\nCu Ag F\n2 2 6\ndirect\n0.005695 0.005695 0.005695 Cu\n0.505695 0.505696 0.505695 Cu\n0.255693 0.255694 0.255693 Ag\n0.755693 0.755694 0.755693 Ag\n0.255715 0.828409 0.682986 F\n0.828409 0.682987 0.255715 F\n0.682986 0.255716 0.828408 F\n0.182986 0.328409 0.755715 F\n0.755716 0.182987 0.328408 F\n0.328409 0.755716 0.182986 F\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Cu",
"Ag",
"F"
],
"chemical_system": "Ag-Cu-F",
"density": 6.081936011910125,
"density_atomic": 0.08017680802606712,
"volume": 124.72434668076079,
"volume_molar": 7.511075719105803,
"formula_full": "Cu2 Ag2 F6",
"formula_reduced": "CuAgF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0,
"spacegroup": 167
},
{
"id": "jvasp-71757",
"created_at": "2022-09-04T14:35:46.548762Z",
"updated_at": "2022-09-04T14:35:46.548781Z",
"structure_string": "Li2 Be1 Mo1\n1.0\n-1.677009 1.677009 4.620938\n1.677009 -1.677009 4.620938\n1.677009 1.677009 -4.620938\nLi Be Mo\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.000000 Li\n0.750000 0.250000 0.500000 Be\n0.250000 0.750000 0.500000 Mo\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Be",
"Mo"
],
"chemical_system": "Be-Li-Mo",
"density": 3.796029326571512,
"density_atomic": 0.07694830748816585,
"volume": 51.98294973044305,
"volume_molar": 7.826216009918303,
"formula_full": "Li2 Be1 Mo1",
"formula_reduced": "Li2BeMo",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.4117455,
"spacegroup": 139
},
{
"id": "jvasp-91767",
"created_at": "2022-09-04T14:35:46.544523Z",
"updated_at": "2022-09-04T14:35:46.544543Z",
"structure_string": "Bi4 Se4\n1.0\n-0.578688 0.000000 4.879719\n5.751474 0.000000 -1.036716\n0.000000 8.934591 0.000000\nBi Se\n4 4\ndirect\n0.257442 0.845314 0.606964 Bi\n0.757443 0.345315 0.893036 Bi\n0.742557 0.154684 0.393036 Bi\n0.242556 0.654685 0.106964 Bi\n0.153097 0.312173 0.638553 Se\n0.653096 0.812172 0.861446 Se\n0.846903 0.687826 0.361447 Se\n0.346903 0.187827 0.138553 Se\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Bi",
"Se"
],
"chemical_system": "Bi-Se",
"density": 7.793764222301682,
"density_atomic": 0.032600597354989054,
"volume": 245.39427645719857,
"volume_molar": 18.472485931545048,
"formula_full": "Bi4 Se4",
"formula_reduced": "BiSe",
"formula_anonymous": "AB",
"energy_above_hull": 0.6492388333333333,
"spacegroup": 14
},
{
"id": "jvasp-68150",
"created_at": "2022-09-04T14:35:46.541027Z",
"updated_at": "2022-09-04T14:35:46.541059Z",
"structure_string": "Be1 Ni1 Se2\n1.0\n3.266252 0.000000 -0.000000\n0.000000 3.266252 0.000000\n0.000000 0.000000 6.388418\nBe Ni Se\n1 1 2\ndirect\n0.000000 0.000000 0.514356 Be\n0.500000 0.500000 0.741540 Ni\n0.000000 0.000000 0.874509 Se\n0.500000 0.500000 0.369596 Se\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Ni",
"Se"
],
"chemical_system": "Be-Ni-Se",
"density": 5.497240468889126,
"density_atomic": 0.05869042971671387,
"volume": 68.15421218258484,
"volume_molar": 10.260856478760818,
"formula_full": "Be1 Ni1 Se2",
"formula_reduced": "BeNiSe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.3741463083333332,
"spacegroup": 99
}
]
}