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=-updated_at&page=831",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-updated_at&page=829",
"results": [
{
"id": "jvasp-109395",
"created_at": "2022-09-04T14:38:28.396423Z",
"updated_at": "2022-09-04T14:38:28.396433Z",
"structure_string": "La1 U1 O4\n1.0\n3.758218 0.003803 5.533588\n1.704259 3.349585 5.533588\n0.006194 0.003803 6.689153\nLa U O\n1 1 4\ndirect\n0.000000 0.000000 0.000000 La\n0.500000 0.500000 0.500000 U\n0.614133 0.614133 0.614133 O\n0.134013 0.134013 0.134013 O\n0.865987 0.865987 0.865988 O\n0.385867 0.385867 0.385867 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"La",
"U",
"O"
],
"chemical_system": "La-O-U",
"density": 8.715971741593343,
"density_atomic": 0.07142436169796049,
"volume": 84.0049509349879,
"volume_molar": 8.431493984456512,
"formula_full": "La1 U1 O4",
"formula_reduced": "LaUO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.6100625,
"spacegroup": 166
},
{
"id": "jvasp-58439",
"created_at": "2022-09-04T14:38:28.391379Z",
"updated_at": "2022-09-04T14:38:28.391401Z",
"structure_string": "Yb2 P10\n1.0\n0.000000 4.662099 0.022771\n9.735851 0.000000 0.000000\n0.000000 -1.491719 -5.291870\nYb P\n2 10\ndirect\n0.924504 0.250000 0.616707 Yb\n0.075496 0.750000 0.383293 Yb\n0.720490 0.250000 0.072440 P\n0.279511 0.750000 0.927560 P\n0.365800 0.408756 0.023464 P\n0.634201 0.908756 0.976536 P\n0.634201 0.591244 0.976536 P\n0.365800 0.091244 0.023464 P\n0.305169 0.439816 0.408803 P\n0.694831 0.939816 0.591197 P\n0.694831 0.560184 0.591197 P\n0.305169 0.060184 0.408803 P\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Yb",
"P"
],
"chemical_system": "P-Yb",
"density": 4.540105662042578,
"density_atomic": 0.05002821736605719,
"volume": 239.8646330369085,
"volume_molar": 12.037488195783409,
"formula_full": "Yb2 P10",
"formula_reduced": "YbP5",
"formula_anonymous": "AB5",
"energy_above_hull": 2.5285047,
"spacegroup": 11
},
{
"id": "jvasp-109739",
"created_at": "2022-09-04T14:38:28.390396Z",
"updated_at": "2022-09-04T14:38:28.390419Z",
"structure_string": "Ge1 Sb1 Te3\n1.0\n4.174267 0.048095 9.626972\n2.036032 3.644364 9.626972\n0.080890 0.048095 10.492690\nGe Sb Te\n1 1 3\ndirect\n0.401634 0.401632 0.401634 Ge\n0.603253 0.603250 0.603253 Sb\n0.000892 0.000892 0.000892 Te\n0.209815 0.209814 0.209815 Te\n0.784409 0.784404 0.784408 Te\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ge",
"Sb",
"Te"
],
"chemical_system": "Ge-Sb-Te",
"density": 6.191520451966614,
"density_atomic": 0.03229920971331175,
"volume": 154.80254917628238,
"volume_molar": 18.64485482292789,
"formula_full": "Ge1 Sb1 Te3",
"formula_reduced": "GeSbTe3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.07925507,
"spacegroup": 160
},
{
"id": "jvasp-109635",
"created_at": "2022-09-04T14:38:28.387597Z",
"updated_at": "2022-09-04T14:38:28.387611Z",
"structure_string": "Li3 Mg5\n1.0\n5.403302 -0.761929 -2.456803\n-2.545178 4.826829 -2.456803\n0.535729 0.761929 5.911391\nLi Mg\n3 5\ndirect\n0.500000 -0.000000 0.500000 Li\n-0.000000 0.500000 0.500000 Li\n0.500000 0.500000 0.000000 Li\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.500000 Mg\n0.500000 -0.000000 0.000000 Mg\n-0.000000 0.500000 0.000000 Mg\n0.000000 0.000000 0.000000 Mg\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Li",
"Mg"
],
"chemical_system": "Li-Mg",
"density": 1.4330506899194932,
"density_atomic": 0.04850104236880128,
"volume": 164.94490858914136,
"volume_molar": 12.416518214614278,
"formula_full": "Li3 Mg5",
"formula_reduced": "Li3Mg5",
"formula_anonymous": "A3B5",
"energy_above_hull": 0.2216310714285715,
"spacegroup": 229
},
{
"id": "jvasp-59767",
"created_at": "2022-09-04T14:38:28.384806Z",
"updated_at": "2022-09-04T14:38:28.384836Z",
"structure_string": "Fe1 Cu2 C6 N6\n1.0\n6.235810 -0.000000 3.600247\n2.078603 5.879177 3.600247\n0.000000 -0.000000 7.200493\nFe Cu C N\n1 2 6 6\ndirect\n0.000000 0.000000 0.000000 Fe\n0.250000 0.250000 0.250000 Cu\n0.500000 0.500000 0.500000 Cu\n0.185336 0.814663 0.185337 C\n0.814663 0.185337 0.814663 C\n0.185336 0.814663 0.814663 C\n0.814663 0.185337 0.185337 C\n0.185337 0.185337 0.814663 C\n0.814663 0.814663 0.185338 C\n0.300247 0.699753 0.699753 N\n0.699753 0.300247 0.699753 N\n0.300247 0.699753 0.300247 N\n0.699753 0.300247 0.300247 N\n0.300247 0.300247 0.699753 N\n0.699753 0.699753 0.300248 N\n",
"nsites": 15,
"nelements": 4,
"elements": [
"Fe",
"Cu",
"C",
"N"
],
"chemical_system": "C-Cu-Fe-N",
"density": 2.132702058597313,
"density_atomic": 0.05682240576130173,
"volume": 263.9803753296131,
"volume_molar": 10.598179854083744,
"formula_full": "Fe1 Cu2 C6 N6",
"formula_reduced": "FeCu2(CN)6",
"formula_anonymous": "AB2C6D6",
"energy_above_hull": 5.817539726666666,
"spacegroup": 216
},
{
"id": "jvasp-17394",
"created_at": "2022-09-04T14:38:28.384100Z",
"updated_at": "2022-09-04T14:38:28.384126Z",
"structure_string": "Mn1 Cu2 Sb1\n1.0\n3.871889 -0.000000 2.235436\n1.290630 3.650452 2.235436\n0.000000 -0.000000 4.470872\nMn Cu Sb\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.250000 0.250000 0.250000 Cu\n0.750000 0.750000 0.750001 Cu\n0.500000 0.500000 0.500001 Sb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mn",
"Cu",
"Sb"
],
"chemical_system": "Cu-Mn-Sb",
"density": 7.982903120245206,
"density_atomic": 0.06329919899800962,
"volume": 63.19195287330218,
"volume_molar": 9.513770877557803,
"formula_full": "Mn1 Cu2 Sb1",
"formula_reduced": "MnCu2Sb",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.3236210603448275,
"spacegroup": 225
},
{
"id": "jvasp-108712",
"created_at": "2022-09-04T14:38:28.380921Z",
"updated_at": "2022-09-04T14:38:28.380949Z",
"structure_string": "Sr2 Sc1 Bi1 O6\n1.0\n5.092049 -0.000000 2.939896\n1.697350 4.800830 2.939896\n-0.000000 -0.000000 5.879791\nSr Sc Bi O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750001 Sr\n0.500000 0.500000 0.500001 Sc\n0.000000 0.000000 0.000000 Bi\n0.748042 0.251958 0.251959 O\n0.251958 0.748042 0.748042 O\n0.251958 0.748042 0.251959 O\n0.748042 0.251958 0.748042 O\n0.251958 0.251958 0.748042 O\n0.748042 0.748042 0.251959 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Sr",
"Sc",
"Bi",
"O"
],
"chemical_system": "Bi-O-Sc-Sr",
"density": 6.067090296177708,
"density_atomic": 0.069571154298357,
"volume": 143.73773298506507,
"volume_molar": 8.656088605593567,
"formula_full": "Sr2 Sc1 Bi1 O6",
"formula_reduced": "Sr2ScBiO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 1.7548103169999998,
"spacegroup": 225
},
{
"id": "jvasp-118704",
"created_at": "2022-09-04T14:38:28.375568Z",
"updated_at": "2022-09-04T14:38:28.375593Z",
"structure_string": "Mg1 Se1 O1\n1.0\n3.053745 -0.000000 0.000000\n-0.000000 3.053745 -0.000000\n0.000000 -0.000000 6.769802\nMg Se O\n1 1 1\ndirect\n0.000000 0.000000 0.438933 Mg\n0.000000 0.000000 -0.027603 Se\n0.000000 0.000000 0.716833 O\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Mg",
"Se",
"O"
],
"chemical_system": "Mg-O-Se",
"density": 3.137028183624271,
"density_atomic": 0.047520363066600846,
"volume": 63.1308307934313,
"volume_molar": 12.672758311126191,
"formula_full": "Mg1 Se1 O1",
"formula_reduced": "MgSeO",
"formula_anonymous": "ABC",
"energy_above_hull": 0.7324986388888889,
"spacegroup": 99
},
{
"id": "jvasp-108098",
"created_at": "2022-09-04T14:38:28.371789Z",
"updated_at": "2022-09-04T14:38:28.371812Z",
"structure_string": "Na2 Ti1 Te1 O6\n1.0\n4.718505 -0.028905 3.782235\n1.798903 4.362233 3.782235\n-0.043474 -0.028905 6.047124\nNa Ti Te O\n2 1 1 6\ndirect\n0.857933 0.857929 0.857932 Na\n0.137999 0.137999 0.137999 Na\n0.655172 0.655169 0.655171 Ti\n0.341849 0.341847 0.341848 Te\n0.685465 0.063701 0.466232 O\n0.466232 0.685462 0.063703 O\n0.063703 0.466230 0.685463 O\n0.308155 0.945516 0.537983 O\n0.537984 0.308153 0.945518 O\n0.945519 0.537980 0.308155 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Na",
"Ti",
"Te",
"O"
],
"chemical_system": "Na-O-Te-Ti",
"density": 4.189363957140768,
"density_atomic": 0.07947551004894178,
"volume": 125.82492385191242,
"volume_molar": 7.577354025524979,
"formula_full": "Na2 Ti1 Te1 O6",
"formula_reduced": "Na2TiTeO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 1.92057651,
"spacegroup": 146
},
{
"id": "jvasp-110228",
"created_at": "2022-09-04T14:38:28.371306Z",
"updated_at": "2022-09-04T14:38:28.371323Z",
"structure_string": "K2 S2 O4 F2\n1.0\n5.600061 0.000000 0.000000\n-0.000000 4.444387 1.320911\n-0.000000 0.029396 6.764850\nK S O F\n2 2 4 2\ndirect\n0.245453 0.347867 0.294461 K\n0.745453 0.652134 0.705539 K\n0.725628 0.955259 0.157173 S\n0.225628 0.044743 0.842827 S\n0.034419 0.165173 0.691171 O\n0.534419 0.834829 0.308829 O\n0.756624 0.283387 0.119419 O\n0.256624 0.716614 0.880581 O\n0.987876 0.823899 0.327868 F\n0.487876 0.176103 0.672132 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"S",
"O",
"F"
],
"chemical_system": "F-K-O-S",
"density": 2.4127279706105327,
"density_atomic": 0.059470070436100475,
"volume": 168.15181025798213,
"volume_molar": 10.126338704223805,
"formula_full": "K2 S2 O4 F2",
"formula_reduced": "KSO2F",
"formula_anonymous": "ABCD2",
"energy_above_hull": 0.8171290565,
"spacegroup": 4
},
{
"id": "jvasp-22957",
"created_at": "2022-09-04T14:38:28.368992Z",
"updated_at": "2022-09-04T14:38:28.369006Z",
"structure_string": "Sc10 Sn6\n1.0\n4.207554 -7.287697 -0.000000\n4.207554 7.287697 0.000000\n-0.000000 0.000000 6.074680\nSc Sn\n10 6\ndirect\n0.333332 0.666667 0.500000 Sc\n0.666667 0.333332 0.000000 Sc\n0.666667 0.333332 0.500000 Sc\n0.333332 0.666667 0.000000 Sc\n-0.000000 0.236217 0.250000 Sc\n0.236217 0.236217 0.750000 Sc\n-0.000001 0.763782 0.750000 Sc\n0.763782 0.763782 0.250000 Sc\n0.236217 -0.000000 0.250000 Sc\n0.763782 -0.000001 0.750000 Sc\n-0.000000 0.606161 0.250000 Sn\n0.606160 0.606160 0.750000 Sn\n0.393839 -0.000000 0.750000 Sn\n0.606161 -0.000000 0.250000 Sn\n0.393839 0.393839 0.250000 Sn\n-0.000000 0.393839 0.750000 Sn\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Sc",
"Sn"
],
"chemical_system": "Sc-Sn",
"density": 5.178621973428811,
"density_atomic": 0.042948359090657244,
"volume": 372.54042619478224,
"volume_molar": 14.021818033346062,
"formula_full": "Sc10 Sn6",
"formula_reduced": "Sc5Sn3",
"formula_anonymous": "A3B5",
"energy_above_hull": 1.99027516875,
"spacegroup": 193
},
{
"id": "jvasp-118702",
"created_at": "2022-09-04T14:38:28.357953Z",
"updated_at": "2022-09-04T14:38:28.357984Z",
"structure_string": "Mg1 Sb1 O1\n1.0\n3.185271 -0.000000 -0.000000\n-0.000000 3.185271 -0.000000\n-0.000000 0.000000 7.080685\nMg Sb O\n1 1 1\ndirect\n0.000000 0.000000 0.463327 Mg\n0.000000 0.000000 -0.005868 Sb\n0.000000 0.000000 0.722751 O\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Mg",
"Sb",
"O"
],
"chemical_system": "Mg-O-Sb",
"density": 3.7460077681507817,
"density_atomic": 0.041759299529668496,
"volume": 71.84028548823255,
"volume_molar": 14.421077048290725,
"formula_full": "Mg1 Sb1 O1",
"formula_reduced": "MgSbO",
"formula_anonymous": "ABC",
"energy_above_hull": 0.7166495500000002,
"spacegroup": 99
}
]
}