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=339",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=volume&page=337",
"results": [
{
"id": "jvasp-118106",
"created_at": "2022-09-04T14:38:50.642819Z",
"updated_at": "2022-09-04T14:38:50.642844Z",
"structure_string": "Cl1 O2\n1.0\n4.301975 0.000000 -0.135924\n0.000000 2.779950 0.000000\n-0.103281 0.000000 4.018116\nCl O\n1 2\ndirect\n0.544674 0.000000 -0.092262 Cl\n-0.124583 0.000000 -0.485122 O\n-0.020091 0.000000 -0.022616 O\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Cl",
"O"
],
"chemical_system": "Cl-O",
"density": 2.3327497476402317,
"density_atomic": 0.062480826351551895,
"volume": 48.01472988081705,
"volume_molar": 9.63838206318861,
"formula_full": "Cl1 O2",
"formula_reduced": "ClO2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.174010355833333,
"spacegroup": 6
},
{
"id": "jvasp-39340",
"created_at": "2022-09-04T14:38:02.260322Z",
"updated_at": "2022-09-04T14:38:02.260347Z",
"structure_string": "Li1 Ho1 O3\n1.0\n3.634701 0.000000 -0.000000\n0.000000 3.634701 0.000000\n-0.000000 0.000000 3.634701\nLi Ho O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Ho\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Li",
"Ho",
"O"
],
"chemical_system": "Ho-Li-O",
"density": 7.60340377980452,
"density_atomic": 0.10412713829757414,
"volume": 48.01822158706618,
"volume_molar": 5.7834497888436625,
"formula_full": "Li1 Ho1 O3",
"formula_reduced": "LiHoO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.5632292133333332,
"spacegroup": 221
},
{
"id": "jvasp-68279",
"created_at": "2022-09-04T14:36:06.651753Z",
"updated_at": "2022-09-04T14:36:06.651779Z",
"structure_string": "Be1 V2 Cu1\n1.0\n-1.780743 1.780743 3.786658\n1.780743 -1.780743 3.786658\n1.780743 1.780743 -3.786658\nBe V Cu\n1 2 1\ndirect\n0.500000 0.500000 0.000000 Be\n0.000000 0.000000 0.000000 V\n0.250000 0.749999 0.499999 V\n0.749999 0.250000 0.499999 Cu\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"V",
"Cu"
],
"chemical_system": "Be-Cu-V",
"density": 6.0308642444923395,
"density_atomic": 0.08328013598838122,
"volume": 48.03066124385361,
"volume_molar": 7.2311850701590785,
"formula_full": "Be1 V2 Cu1",
"formula_reduced": "BeV2Cu",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.5690262375,
"spacegroup": 119
},
{
"id": "jvasp-37168",
"created_at": "2022-09-04T14:35:43.798004Z",
"updated_at": "2022-09-04T14:35:43.798029Z",
"structure_string": "Y1 Ti1\n1.0\n3.635023 -0.000000 0.000000\n-0.000000 3.635023 0.000000\n0.000000 -0.000000 3.635023\nY Ti\n1 1\ndirect\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.500000 Ti\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Y",
"Ti"
],
"chemical_system": "Ti-Y",
"density": 4.7285447633095705,
"density_atomic": 0.04163978766904659,
"volume": 48.03098459329375,
"volume_molar": 14.462467503110314,
"formula_full": "Y1 Ti1",
"formula_reduced": "YTi",
"formula_anonymous": "AB",
"energy_above_hull": 2.418996891666666,
"spacegroup": 221
},
{
"id": "jvasp-68260",
"created_at": "2022-09-04T14:35:48.890075Z",
"updated_at": "2022-09-04T14:35:48.890104Z",
"structure_string": "Be1 Fe1 Ru2\n1.0\n-1.745755 1.745755 3.940354\n1.745755 -1.745755 3.940354\n1.745755 1.745755 -3.940354\nBe Fe Ru\n1 1 2\ndirect\n0.500000 0.500000 0.000000 Be\n0.750001 0.250000 0.500001 Fe\n0.000000 0.000000 0.000000 Ru\n0.250000 0.750001 0.500001 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Fe",
"Ru"
],
"chemical_system": "Be-Fe-Ru",
"density": 9.229835359536667,
"density_atomic": 0.08327184179189344,
"volume": 48.03544528289036,
"volume_molar": 7.231905324071093,
"formula_full": "Be1 Fe1 Ru2",
"formula_reduced": "BeFeRu2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.57035565,
"spacegroup": 119
},
{
"id": "jvasp-120295",
"created_at": "2022-09-04T14:38:53.632201Z",
"updated_at": "2022-09-04T14:38:53.632227Z",
"structure_string": "Li1 Zn1 O1\n1.0\n2.453735 1.457506 0.000000\n1.022964 6.585039 0.000000\n0.000000 0.000000 3.275376\nLi Zn O\n1 1 1\ndirect\n-0.080259 -0.133457 0.000000 Li\n0.208526 0.344533 0.000000 Zn\n0.087746 0.089684 0.000000 O\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Li",
"Zn",
"O"
],
"chemical_system": "Li-O-Zn",
"density": 3.0538752943696057,
"density_atomic": 0.062448189436042655,
"volume": 48.03982352558835,
"volume_molar": 9.643419311888419,
"formula_full": "Li1 Zn1 O1",
"formula_reduced": "LiZnO",
"formula_anonymous": "ABC",
"energy_above_hull": 0.1017579666666668,
"spacegroup": 38
},
{
"id": "jvasp-71915",
"created_at": "2022-09-04T14:36:13.392537Z",
"updated_at": "2022-09-04T14:36:13.392566Z",
"structure_string": "Mg1 Be1 Fe2\n1.0\n3.589239 -0.000000 0.000000\n0.000000 3.589239 -0.000000\n0.000000 -0.000000 3.729364\nMg Be Fe\n1 1 2\ndirect\n0.500000 0.500000 0.499999 Mg\n0.000000 0.000000 0.499999 Be\n0.500000 0.000000 -0.000000 Fe\n0.000000 0.500000 0.000000 Fe\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"Be",
"Fe"
],
"chemical_system": "Be-Fe-Mg",
"density": 5.01186171782433,
"density_atomic": 0.083256943079754,
"volume": 48.04404115784428,
"volume_molar": 7.233199463294292,
"formula_full": "Mg1 Be1 Fe2",
"formula_reduced": "MgBeFe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.0035015375,
"spacegroup": 123
},
{
"id": "jvasp-74488",
"created_at": "2022-09-04T14:36:00.376624Z",
"updated_at": "2022-09-04T14:36:00.376658Z",
"structure_string": "Ti1 Be2 Rh1\n1.0\n-2.040384 2.040384 2.885909\n2.040384 -2.040384 2.885909\n2.040384 2.040384 -2.885909\nTi Be Rh\n1 2 1\ndirect\n0.749999 0.250000 0.499999 Ti\n0.000000 0.000000 0.000000 Be\n0.250000 0.749999 0.499999 Be\n0.500000 0.500000 0.000000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Be",
"Rh"
],
"chemical_system": "Be-Rh-Ti",
"density": 5.83239634065287,
"density_atomic": 0.08323261679472535,
"volume": 48.05808292517231,
"volume_molar": 7.2353135007785045,
"formula_full": "Ti1 Be2 Rh1",
"formula_reduced": "TiBe2Rh",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.5095783833333334,
"spacegroup": 216
},
{
"id": "jvasp-66936",
"created_at": "2022-09-04T14:36:18.106224Z",
"updated_at": "2022-09-04T14:36:18.106257Z",
"structure_string": "Sc1 Be1 Mo1\n1.0\n1.491678 -2.583660 -0.000000\n1.491678 2.583660 0.000000\n-0.000000 0.000000 6.235456\nSc Be Mo\n1 1 1\ndirect\n0.333334 0.666668 0.677359 Sc\n0.000000 0.000000 0.018633 Be\n0.666668 0.333334 0.304008 Mo\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Sc",
"Be",
"Mo"
],
"chemical_system": "Be-Mo-Sc",
"density": 5.179233832573086,
"density_atomic": 0.06241839452542441,
"volume": 48.06275494282431,
"volume_molar": 9.648022519302458,
"formula_full": "Sc1 Be1 Mo1",
"formula_reduced": "ScBeMo",
"formula_anonymous": "ABC",
"energy_above_hull": 3.21524575,
"spacegroup": 156
},
{
"id": "jvasp-41200",
"created_at": "2022-09-04T14:37:36.954239Z",
"updated_at": "2022-09-04T14:37:36.954265Z",
"structure_string": "Mn1 V2 Cr1\n1.0\n0.000000 2.885844 2.885844\n2.885844 0.000000 2.885844\n2.885844 2.885844 -0.000000\nMn V Cr\n1 2 1\ndirect\n0.749999 0.749999 0.749999 Mn\n0.000000 0.000000 0.000000 V\n0.500000 0.500000 0.500000 V\n0.250000 0.250000 0.250000 Cr\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mn",
"V",
"Cr"
],
"chemical_system": "Cr-Mn-V",
"density": 7.213843282768258,
"density_atomic": 0.08321688276012745,
"volume": 48.067169393138585,
"volume_molar": 7.2366815005061085,
"formula_full": "Mn1 V2 Cr1",
"formula_reduced": "MnV2Cr",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.379403260344828,
"spacegroup": 225
},
{
"id": "jvasp-92768",
"created_at": "2022-09-04T14:36:02.958643Z",
"updated_at": "2022-09-04T14:36:02.958676Z",
"structure_string": "Li1 N1 O3\n1.0\n-3.038226 -1.987442 -1.722418\n-1.520468 1.483434 -3.411020\n0.749987 -1.987442 -3.411020\nLi N O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 N\n0.000001 0.500000 0.000000 O\n-0.000000 0.000000 0.500000 O\n0.500000 0.000000 -0.000000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Li",
"N",
"O"
],
"chemical_system": "Li-N-O",
"density": 2.381504724222013,
"density_atomic": 0.10400732077488402,
"volume": 48.07353908117797,
"volume_molar": 5.790112383564296,
"formula_full": "Li1 N1 O3",
"formula_reduced": "LiNO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.99283475,
"spacegroup": 166
},
{
"id": "jvasp-25400",
"created_at": "2022-09-04T14:38:28.707780Z",
"updated_at": "2022-09-04T14:38:28.707813Z",
"structure_string": "Cu4\n1.0\n2.568258 0.000000 0.000000\n-1.284129 2.224177 0.000000\n0.000000 -0.000000 8.416813\nCu\n4\ndirect\n0.000000 0.000000 0.000000 Cu\n0.333335 0.666668 0.250001 Cu\n0.000000 0.000000 0.500000 Cu\n0.666667 0.333335 0.750001 Cu\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Cu"
],
"chemical_system": "Cu",
"density": 8.778930963700272,
"density_atomic": 0.08319635854970497,
"volume": 48.07902737245685,
"volume_molar": 7.238466761020703,
"formula_full": "Cu4",
"formula_reduced": "Cu",
"formula_anonymous": "A",
"energy_above_hull": 0.00352045,
"spacegroup": 194
}
]
}