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=537",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=created_at&page=535",
"results": [
{
"id": "jvasp-97585",
"created_at": "2022-09-04T14:35:58.459794Z",
"updated_at": "2022-09-04T14:35:58.459825Z",
"structure_string": "Tm4 Ni34\n1.0\n8.212304 -0.000000 -0.000000\n-4.106152 7.112064 -0.000000\n0.000000 -0.000000 7.964674\nTm Ni\n4 34\ndirect\n0.666666 0.333333 0.250000 Tm\n0.000000 0.000000 0.250000 Tm\n0.333333 0.666666 0.750000 Tm\n0.000000 0.000000 0.750000 Tm\n0.164965 0.835035 0.522523 Ni\n0.164965 0.329929 0.522523 Ni\n0.670070 0.835035 0.522523 Ni\n0.329929 0.164965 0.022524 Ni\n0.835035 0.670070 0.477476 Ni\n0.835035 0.164965 0.022524 Ni\n0.041638 0.672603 0.250000 Ni\n0.164965 0.835035 0.977476 Ni\n0.670070 0.835035 0.977476 Ni\n0.329929 0.164965 0.477476 Ni\n0.835035 0.164965 0.477476 Ni\n0.164965 0.329929 0.977476 Ni\n0.327397 0.369035 0.250000 Ni\n0.630965 0.958362 0.250000 Ni\n0.835035 0.670070 0.022524 Ni\n0.333333 0.666666 0.100753 Ni\n0.672603 0.630965 0.750000 Ni\n0.666666 0.333333 0.600753 Ni\n0.666666 0.333333 0.899246 Ni\n0.333333 0.666666 0.399246 Ni\n0.500000 0.000000 0.000000 Ni\n0.500000 0.500000 0.500000 Ni\n-0.000000 0.500000 0.500000 Ni\n-0.000000 0.500000 0.000000 Ni\n0.500000 0.500000 0.000000 Ni\n0.500000 0.000000 0.500000 Ni\n0.327397 0.958362 0.250000 Ni\n0.369035 0.327397 0.750000 Ni\n0.958362 0.630965 0.750000 Ni\n0.041638 0.369035 0.250000 Ni\n0.630965 0.672603 0.250000 Ni\n0.369035 0.041638 0.750000 Ni\n0.672603 0.041638 0.750000 Ni\n0.958362 0.327397 0.750000 Ni\n",
"nsites": 38,
"nelements": 2,
"elements": [
"Tm",
"Ni"
],
"chemical_system": "Ni-Tm",
"density": 9.53553590805269,
"density_atomic": 0.08168737088075513,
"volume": 465.18818747969385,
"volume_molar": 7.372180907610489,
"formula_full": "Tm4 Ni34",
"formula_reduced": "Tm2Ni17",
"formula_anonymous": "A2B17",
"energy_above_hull": 1.3361252263157894,
"spacegroup": 194
},
{
"id": "jvasp-14847",
"created_at": "2022-09-04T14:35:58.462346Z",
"updated_at": "2022-09-04T14:35:58.462384Z",
"structure_string": "Si8\n1.0\n5.479388 -0.000000 -1.937257\n-2.739695 4.745290 -1.937257\n-0.000000 -0.000000 5.811770\nSi\n8\ndirect\n0.201975 0.201975 0.201975 Si\n0.000000 0.298025 0.500000 Si\n0.500000 0.000000 0.298025 Si\n0.298025 0.500000 -0.000000 Si\n0.798026 0.798025 0.798024 Si\n0.000001 0.701975 0.500000 Si\n0.500000 0.000000 0.701975 Si\n0.701976 0.500000 -0.000000 Si\n",
"nsites": 8,
"nelements": 1,
"elements": [
"Si"
],
"chemical_system": "Si",
"density": 2.4689825050467826,
"density_atomic": 0.05294034353850703,
"volume": 151.11348860403726,
"volume_molar": 11.375333738852104,
"formula_full": "Si8",
"formula_reduced": "Si",
"formula_anonymous": "A",
"energy_above_hull": 0.1666299999999996,
"spacegroup": 206
},
{
"id": "jvasp-72158",
"created_at": "2022-09-04T14:35:58.467779Z",
"updated_at": "2022-09-04T14:35:58.467798Z",
"structure_string": "Y1 Be1 Cl2\n1.0\n-1.946558 1.946558 5.159392\n1.946558 -1.946558 5.159392\n1.946558 1.946558 -5.159392\nY Be Cl\n1 1 2\ndirect\n0.500000 0.500000 0.000000 Y\n0.750001 0.250000 0.500001 Be\n0.000000 0.000000 0.000000 Cl\n0.250000 0.750001 0.500001 Cl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"Be",
"Cl"
],
"chemical_system": "Be-Cl-Y",
"density": 3.5850081831553275,
"density_atomic": 0.051152489740735704,
"volume": 78.19756223546177,
"volume_molar": 11.772918171770277,
"formula_full": "Y1 Be1 Cl2",
"formula_reduced": "YBeCl2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.07293242125,
"spacegroup": 119
},
{
"id": "jvasp-70148",
"created_at": "2022-09-04T14:35:58.469618Z",
"updated_at": "2022-09-04T14:35:58.469643Z",
"structure_string": "Be1 Bi1 F3\n1.0\n4.617287 0.000000 -0.000000\n0.000000 4.617287 0.000000\n-0.000000 0.000000 4.617287\nBe Bi F\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Be\n0.500000 0.500000 0.500000 Bi\n0.000000 0.500000 0.500000 F\n0.500000 0.000000 0.500000 F\n0.500000 0.500000 0.000000 F\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Be",
"Bi",
"F"
],
"chemical_system": "Be-Bi-F",
"density": 4.6387599648130875,
"density_atomic": 0.05079364670531595,
"volume": 98.43750792314566,
"volume_molar": 11.856090575535967,
"formula_full": "Be1 Bi1 F3",
"formula_reduced": "BeBiF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.2285982495,
"spacegroup": 221
},
{
"id": "jvasp-48323",
"created_at": "2022-09-04T14:35:58.472154Z",
"updated_at": "2022-09-04T14:35:58.472178Z",
"structure_string": "Li10 Mn2 O6 F2\n1.0\n-1.850615 -4.577430 -4.255016\n-1.850615 4.577430 -4.255016\n3.757380 0.000000 -2.859945\nLi Mn O F\n10 2 6 2\ndirect\n0.961501 0.545720 0.243199 Li\n0.456979 0.052953 0.753343 Li\n0.197048 0.793021 0.496659 Li\n0.793021 0.197048 0.496659 Li\n0.769498 0.769498 0.727542 Li\n0.052953 0.456979 0.753343 Li\n0.545720 0.961501 0.243199 Li\n0.288499 0.704280 0.006804 Li\n0.704280 0.288499 0.006804 Li\n0.480502 0.480502 0.522461 Li\n0.256461 0.256461 0.248740 Mn\n-0.006461 -0.006461 0.001261 Mn\n0.981133 0.268867 0.125002 O\n0.268867 0.981133 0.125002 O\n0.223536 0.518411 0.373995 O\n0.518411 0.223536 0.373995 O\n0.731589 0.026464 0.876007 O\n0.026464 0.731589 0.876007 O\n0.772998 0.477002 0.625002 F\n0.477002 0.772998 0.625002 F\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"Mn",
"O",
"F"
],
"chemical_system": "F-Li-Mn-O",
"density": 2.670237728436593,
"density_atomic": 0.10265949683654176,
"volume": 194.81880017242574,
"volume_molar": 5.8661311866633,
"formula_full": "Li10 Mn2 O6 F2",
"formula_reduced": "Li5MnO3F",
"formula_anonymous": "ABC3D5",
"energy_above_hull": 1.5570368023879309,
"spacegroup": 12
},
{
"id": "jvasp-75666",
"created_at": "2022-09-04T14:35:58.474948Z",
"updated_at": "2022-09-04T14:35:58.474976Z",
"structure_string": "Re1 As1 Ir2\n1.0\n-0.000000 3.126482 3.126482\n3.126482 0.000000 3.126482\n3.126482 3.126482 0.000000\nRe As Ir\n1 1 2\ndirect\n0.750000 0.750000 0.750000 Re\n0.500000 0.500000 0.500000 As\n0.000000 0.000000 0.000000 Ir\n0.250000 0.250000 0.250000 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Re",
"As",
"Ir"
],
"chemical_system": "As-Ir-Re",
"density": 17.53838768186072,
"density_atomic": 0.06544284898791528,
"volume": 61.12203337508492,
"volume_molar": 9.202137213054481,
"formula_full": "Re1 As1 Ir2",
"formula_reduced": "ReAsIr2",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.724512987499999,
"spacegroup": 216
},
{
"id": "jvasp-66045",
"created_at": "2022-09-04T14:35:58.475095Z",
"updated_at": "2022-09-04T14:35:58.475121Z",
"structure_string": "Ba4 Tc1 W1\n1.0\n-0.000000 4.761129 4.761129\n4.761129 0.000000 4.761129\n4.761129 4.761129 0.000000\nBa Tc W\n4 1 1\ndirect\n0.124840 0.625054 0.625054 Ba\n0.625054 0.625054 0.625054 Ba\n0.625054 0.124840 0.625054 Ba\n0.625054 0.625054 0.124840 Ba\n0.250000 0.250000 0.250000 Tc\n0.000000 0.000000 0.000000 W\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Tc",
"W"
],
"chemical_system": "Ba-Tc-W",
"density": 6.393926214075768,
"density_atomic": 0.027796582810901103,
"volume": 215.85387098902513,
"volume_molar": 21.665039911446495,
"formula_full": "Ba4 Tc1 W1",
"formula_reduced": "Ba4TcW",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.5943008966666667,
"spacegroup": 216
},
{
"id": "jvasp-2139",
"created_at": "2022-09-04T14:35:58.480253Z",
"updated_at": "2022-09-04T14:35:58.480273Z",
"structure_string": "P4 Ru2\n1.0\n2.922643 0.000000 0.000000\n0.000000 5.156065 0.000000\n0.000000 0.000000 5.947141\nP Ru\n4 2\ndirect\n0.499999 0.337384 0.872942 P\n0.499999 0.662615 0.127058 P\n0.000000 0.162616 0.372942 P\n0.000000 0.837384 0.627058 P\n0.499999 0.500000 0.500000 Ru\n0.000000 0.000000 0.000000 Ru\n",
"nsites": 6,
"nelements": 2,
"elements": [
"P",
"Ru"
],
"chemical_system": "P-Ru",
"density": 6.041030064794572,
"density_atomic": 0.06694973492203875,
"volume": 89.61947357949731,
"volume_molar": 8.995018078880564,
"formula_full": "P4 Ru2",
"formula_reduced": "P2Ru",
"formula_anonymous": "AB2",
"energy_above_hull": 2.8932405,
"spacegroup": 58
},
{
"id": "jvasp-93214",
"created_at": "2022-09-04T14:35:58.481908Z",
"updated_at": "2022-09-04T14:35:58.481939Z",
"structure_string": "Ce1 Ga1 O3\n1.0\n3.883079 0.000000 0.000000\n0.000000 3.883079 0.000000\n0.000000 0.000000 3.882928\nCe Ga O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Ce\n0.000000 0.000000 0.000000 Ga\n0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.000000 O\n0.000000 0.000000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ce",
"Ga",
"O"
],
"chemical_system": "Ce-Ga-O",
"density": 7.312786323060376,
"density_atomic": 0.0854000675629646,
"volume": 58.547963048314344,
"volume_molar": 7.051681493764553,
"formula_full": "Ce1 Ga1 O3",
"formula_reduced": "CeGaO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.366745665,
"spacegroup": 221
},
{
"id": "jvasp-88052",
"created_at": "2022-09-04T14:35:58.482742Z",
"updated_at": "2022-09-04T14:35:58.482774Z",
"structure_string": "La2 Zn2 As2 O2\n1.0\n4.112696 0.000000 0.000000\n0.000000 4.112555 0.000000\n0.000000 0.000000 9.088299\nLa Zn As O\n2 2 2 2\ndirect\n0.250000 0.250000 0.133888 La\n0.750001 0.750001 0.866112 La\n0.250000 0.750001 0.500000 Zn\n0.750001 0.250000 0.500000 Zn\n0.750001 0.750001 0.326445 As\n0.250000 0.250000 0.673555 As\n0.250000 0.750001 -0.000001 O\n0.750001 0.250000 0.000001 O\n",
"nsites": 8,
"nelements": 4,
"elements": [
"La",
"Zn",
"As",
"O"
],
"chemical_system": "As-La-O-Zn",
"density": 6.378619432841338,
"density_atomic": 0.05204380637911372,
"volume": 153.7166582652296,
"volume_molar": 11.571291915375376,
"formula_full": "La2 Zn2 As2 O2",
"formula_reduced": "LaZnAsO",
"formula_anonymous": "ABCD",
"energy_above_hull": 0.7557701625,
"spacegroup": 129
},
{
"id": "jvasp-107769",
"created_at": "2022-09-04T14:35:58.483123Z",
"updated_at": "2022-09-04T14:35:58.483155Z",
"structure_string": "Ce2 Zr1 O6\n1.0\n3.681785 0.005709 -7.641060\n-0.186859 3.677045 -7.641060\n-0.005418 -0.005709 8.481822\nCe Zr O\n2 1 6\ndirect\n0.335987 0.335987 -0.000001 Ce\n0.664011 0.664012 -0.000002 Ce\n0.000000 0.000000 0.000000 Zr\n0.422439 0.922439 0.499998 O\n0.749999 0.250000 0.499998 O\n0.077559 0.577559 0.499999 O\n0.922439 0.422440 0.499998 O\n0.249999 0.749999 0.499998 O\n0.577559 0.077560 0.499999 O\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Ce",
"Zr",
"O"
],
"chemical_system": "Ce-O-Zr",
"density": 6.7782951912961815,
"density_atomic": 0.07859166621463679,
"volume": 114.51595866946838,
"volume_molar": 7.662569137487566,
"formula_full": "Ce2 Zr1 O6",
"formula_reduced": "Ce2ZrO6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 2.6343485,
"spacegroup": 139
},
{
"id": "jvasp-88271",
"created_at": "2022-09-04T14:35:58.486927Z",
"updated_at": "2022-09-04T14:35:58.486964Z",
"structure_string": "Mg8 Si8 O24\n1.0\n5.361753 -0.000000 0.000000\n-0.000000 8.771100 0.000000\n0.000000 0.000000 9.341581\nMg Si O\n8 8 24\ndirect\n0.250000 0.263128 0.000000 Mg\n0.250000 0.904375 0.000000 Mg\n0.250000 0.763128 0.500000 Mg\n0.750000 0.595625 0.500000 Mg\n0.750000 0.736872 0.000000 Mg\n0.750000 0.095625 0.000000 Mg\n0.750000 0.236872 0.500000 Mg\n0.250000 0.404375 0.500000 Mg\n0.566388 0.408381 0.207771 Si\n0.566388 0.908381 0.292229 Si\n0.066389 0.091619 0.292229 Si\n0.933611 0.908381 0.707771 Si\n0.066389 0.591619 0.207771 Si\n0.433611 0.091619 0.707771 Si\n0.433611 0.591619 0.792229 Si\n0.933611 0.408381 0.792229 Si\n0.078653 0.593999 0.382200 O\n0.711519 0.526222 0.849958 O\n0.788481 0.526222 0.150042 O\n0.921346 0.406001 0.617799 O\n0.921346 0.906001 0.882200 O\n0.578653 0.906001 0.117800 O\n0.788481 0.026222 0.349958 O\n0.711519 0.026222 0.650042 O\n0.211519 -0.026222 0.650042 O\n0.211519 0.473778 0.849958 O\n0.421347 0.593999 0.617799 O\n0.421347 0.093999 0.882200 O\n0.569892 0.249200 0.122631 O\n0.430108 0.250800 0.622631 O\n0.069892 0.750800 0.122631 O\n0.569892 0.749199 0.377369 O\n0.578653 0.406001 0.382200 O\n0.288481 -0.026222 0.349958 O\n0.430108 0.750800 0.877369 O\n0.069892 0.250800 0.377369 O\n0.078653 0.093999 0.117800 O\n0.288481 0.473778 0.150042 O\n0.930108 0.249200 0.877369 O\n0.930108 0.749199 0.622631 O\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Mg",
"Si",
"O"
],
"chemical_system": "Mg-O-Si",
"density": 3.035586864968513,
"density_atomic": 0.09104974661672542,
"volume": 439.32027804954026,
"volume_molar": 6.614121382841675,
"formula_full": "Mg8 Si8 O24",
"formula_reduced": "MgSiO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.42328163,
"spacegroup": 60
}
]
}