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=879",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=volume&page=877",
"results": [
{
"id": "jvasp-67570",
"created_at": "2022-09-04T14:36:01.468984Z",
"updated_at": "2022-09-04T14:36:01.469018Z",
"structure_string": "K1 Mn2 Be1\n1.0\n2.885725 0.000000 0.000000\n0.000000 2.885725 0.000000\n-0.000000 0.000000 7.915888\nK Mn Be\n1 2 1\ndirect\n0.500001 0.500001 0.736010 K\n0.000000 0.000000 0.101868 Mn\n0.500001 0.500001 0.260913 Mn\n0.000000 0.000000 0.401210 Be\n",
"nsites": 4,
"nelements": 3,
"elements": [
"K",
"Mn",
"Be"
],
"chemical_system": "Be-K-Mn",
"density": 3.9797862631516283,
"density_atomic": 0.06068068387405971,
"volume": 65.91883519806463,
"volume_molar": 9.924312607449693,
"formula_full": "K1 Mn2 Be1",
"formula_reduced": "KMn2Be",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.4817896456896547,
"spacegroup": 99
},
{
"id": "jvasp-120148",
"created_at": "2022-09-04T14:38:52.138490Z",
"updated_at": "2022-09-04T14:38:52.138510Z",
"structure_string": "Na1 Hf1 F1\n1.0\n2.996942 -0.000000 0.000000\n0.000000 2.996942 0.000000\n0.000000 -0.000000 7.339725\nNa Hf F\n1 1 1\ndirect\n0.000000 0.000000 -0.082250 Na\n0.000000 0.000000 0.478169 Hf\n0.000000 0.000000 0.209839 F\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Na",
"Hf",
"F"
],
"chemical_system": "F-Hf-Na",
"density": 5.553646508829229,
"density_atomic": 0.045507689912538445,
"volume": 65.92292436214015,
"volume_molar": 13.233237660654709,
"formula_full": "Na1 Hf1 F1",
"formula_reduced": "NaHfF",
"formula_anonymous": "ABC",
"energy_above_hull": 1.0112154285714294,
"spacegroup": 99
},
{
"id": "jvasp-114728",
"created_at": "2022-09-04T14:38:43.126535Z",
"updated_at": "2022-09-04T14:38:43.126561Z",
"structure_string": "Ca2 O2\n1.0\n3.943448 -0.238577 -0.525674\n-2.096515 -3.265956 0.927501\n1.418456 2.372739 -5.586189\nCa O\n2 2\ndirect\n0.757953 -0.291945 0.789173 Ca\n0.090487 0.874587 0.289156 Ca\n0.757887 0.207952 0.289142 O\n0.090562 0.374666 0.789152 O\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ca",
"O"
],
"chemical_system": "Ca-O",
"density": 2.8249139457697043,
"density_atomic": 0.060673388645661734,
"volume": 65.92676112686526,
"volume_molar": 9.92550588392197,
"formula_full": "Ca2 O2",
"formula_reduced": "CaO",
"formula_anonymous": "AB",
"energy_above_hull": 0.0451299999999998,
"spacegroup": 194
},
{
"id": "jvasp-115154",
"created_at": "2022-09-04T14:38:43.025384Z",
"updated_at": "2022-09-04T14:38:43.025412Z",
"structure_string": "Li1 Y1 Ir1\n1.0\n2.851550 -0.000000 -0.000000\n-0.000000 2.851550 -0.000000\n0.000000 0.000000 8.108872\nLi Y Ir\n1 1 1\ndirect\n0.000000 0.000000 -0.079910 Li\n0.000000 0.000000 0.534408 Y\n0.000000 0.000000 0.219344 Ir\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Li",
"Y",
"Ir"
],
"chemical_system": "Ir-Li-Y",
"density": 7.254632732855755,
"density_atomic": 0.04549868318547289,
"volume": 65.93597418568498,
"volume_molar": 13.235857256464044,
"formula_full": "Li1 Y1 Ir1",
"formula_reduced": "LiYIr",
"formula_anonymous": "ABC",
"energy_above_hull": 2.62803885,
"spacegroup": 99
},
{
"id": "jvasp-68697",
"created_at": "2022-09-04T14:35:57.537823Z",
"updated_at": "2022-09-04T14:35:57.537837Z",
"structure_string": "Ti1 Be2 Bi1\n1.0\n3.455813 -0.000000 -0.000000\n-0.000000 3.455813 -0.000000\n-0.000000 -0.000000 5.521822\nTi Be Bi\n1 2 1\ndirect\n0.500000 0.500000 0.000000 Ti\n0.000000 0.000000 0.184499 Be\n0.000000 0.000000 0.815501 Be\n0.500000 0.500000 0.500000 Bi\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Be",
"Bi"
],
"chemical_system": "Be-Bi-Ti",
"density": 6.921438370891615,
"density_atomic": 0.06065646836766946,
"volume": 65.94515156658943,
"volume_molar": 9.928274629338402,
"formula_full": "Ti1 Be2 Bi1",
"formula_reduced": "TiBe2Bi",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.188966208333334,
"spacegroup": 123
},
{
"id": "jvasp-81229",
"created_at": "2022-09-04T14:37:10.037752Z",
"updated_at": "2022-09-04T14:37:10.037784Z",
"structure_string": "Hf1 V1 Au2\n1.0\n-7.346197 -2.667774 -8.445706\n-4.515693 -1.914928 -1.695780\n-3.368578 1.332180 -3.711668\nHf V Au\n1 1 2\ndirect\n0.500000 -0.000000 0.000001 Hf\n0.000000 0.000000 0.000000 V\n0.742575 0.015266 0.015242 Au\n0.257425 -0.015266 -0.015240 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Hf",
"V",
"Au"
],
"chemical_system": "Au-Hf-V",
"density": 15.695079423267984,
"density_atomic": 0.06065020169396443,
"volume": 65.95196534025801,
"volume_molar": 9.929300466941879,
"formula_full": "Hf1 V1 Au2",
"formula_reduced": "HfVAu2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.669033085,
"spacegroup": 71
},
{
"id": "jvasp-44766",
"created_at": "2022-09-04T14:38:11.937974Z",
"updated_at": "2022-09-04T14:38:11.937993Z",
"structure_string": "Ti1 Fe1 O4\n1.0\n5.333030 0.183985 0.000000\n2.499426 4.714651 0.000000\n-3.916228 -2.449318 2.671903\nTi Fe O\n1 1 4\ndirect\n0.750000 0.249999 0.500000 Ti\n0.000000 0.000000 0.000000 Fe\n0.533887 0.033886 0.500000 O\n0.203141 0.203141 -0.000000 O\n0.966114 0.466112 0.500000 O\n0.796860 0.796858 -0.000000 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ti",
"Fe",
"O"
],
"chemical_system": "Fe-O-Ti",
"density": 4.222593452153548,
"density_atomic": 0.09097530069803064,
"volume": 65.95196667626824,
"volume_molar": 6.619533778721945,
"formula_full": "Ti1 Fe1 O4",
"formula_reduced": "TiFeO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.756032972222222,
"spacegroup": 119
},
{
"id": "jvasp-108187",
"created_at": "2022-09-04T14:36:01.308422Z",
"updated_at": "2022-09-04T14:36:01.308452Z",
"structure_string": "V2 O2 F2\n1.0\n4.704099 0.014425 0.000003\n-0.399387 4.687135 -0.000004\n-0.000000 0.000000 2.990513\nV O F\n2 2 2\ndirect\n0.000000 0.000000 0.000000 V\n0.500000 0.499999 0.500000 V\n0.298060 0.298059 0.000000 O\n0.701940 0.701939 0.000000 O\n0.200810 0.799188 0.499999 F\n0.799189 0.200810 0.500000 F\n",
"nsites": 6,
"nelements": 3,
"elements": [
"V",
"O",
"F"
],
"chemical_system": "F-O-V",
"density": 4.32740804683076,
"density_atomic": 0.0909720910780344,
"volume": 65.95429355200042,
"volume_molar": 6.619767324941782,
"formula_full": "V2 O2 F2",
"formula_reduced": "VOF",
"formula_anonymous": "ABC",
"energy_above_hull": 1.0732193275000002,
"spacegroup": 65
},
{
"id": "jvasp-123743",
"created_at": "2022-09-04T14:38:55.377338Z",
"updated_at": "2022-09-04T14:38:55.377364Z",
"structure_string": "Hf1 Kr1\n1.0\n1.578954 -2.734829 -0.000000\n1.578954 2.734829 -0.000000\n0.000000 -0.000000 7.637083\nHf Kr\n1 1\ndirect\n0.333332 0.666665 0.750000 Hf\n0.666665 0.333332 0.250000 Kr\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Hf",
"Kr"
],
"chemical_system": "Hf-Kr",
"density": 6.603441860710005,
"density_atomic": 0.030323046726815208,
"volume": 65.95643300682462,
"volume_molar": 19.859946179730397,
"formula_full": "Hf1 Kr1",
"formula_reduced": "HfKr",
"formula_anonymous": "AB",
"energy_above_hull": null,
"spacegroup": 187
},
{
"id": "jvasp-99969",
"created_at": "2022-09-04T14:36:44.104757Z",
"updated_at": "2022-09-04T14:36:44.104785Z",
"structure_string": "Li2 Mg1 Au1\n1.0\n3.927601 -0.000000 2.267601\n1.309201 3.702978 2.267601\n-0.000000 -0.000000 4.535203\nLi Mg Au\n2 1 1\ndirect\n0.500000 0.500000 0.499999 Li\n0.750000 0.750000 0.749999 Li\n0.250000 0.250000 0.250000 Mg\n0.000000 0.000000 0.000000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Mg",
"Au"
],
"chemical_system": "Au-Li-Mg",
"density": 5.9200509848437495,
"density_atomic": 0.060643570924370775,
"volume": 65.95917652983267,
"volume_molar": 9.930386136908517,
"formula_full": "Li2 Mg1 Au1",
"formula_reduced": "Li2MgAu",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.26057344625,
"spacegroup": 216
},
{
"id": "jvasp-109417",
"created_at": "2022-09-04T14:38:12.443230Z",
"updated_at": "2022-09-04T14:38:12.443257Z",
"structure_string": "Ba1 Fe1 O2 F1\n1.0\n3.895267 -0.000000 0.000000\n0.000000 3.895267 0.000000\n-0.000000 -0.000000 4.347479\nBa Fe O F\n1 1 2 1\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Fe\n0.500000 0.000000 0.500000 O\n-0.000000 0.500000 0.500000 O\n0.500000 0.500000 -0.000000 F\n",
"nsites": 5,
"nelements": 4,
"elements": [
"Ba",
"Fe",
"O",
"F"
],
"chemical_system": "Ba-F-Fe-O",
"density": 6.146502000566323,
"density_atomic": 0.07579805265511803,
"volume": 65.9647553578989,
"volume_molar": 7.944980839284627,
"formula_full": "Ba1 Fe1 O2 F1",
"formula_reduced": "BaFeO2F",
"formula_anonymous": "ABCD2",
"energy_above_hull": 1.1766897505000002,
"spacegroup": 123
},
{
"id": "jvasp-119936",
"created_at": "2022-09-04T14:38:51.937415Z",
"updated_at": "2022-09-04T14:38:51.937434Z",
"structure_string": "Ba1 C1 N2\n1.0\n4.309160 0.000000 0.000000\n0.000000 4.309160 0.000000\n-0.000000 -0.000000 3.552518\nBa C N\n1 1 2\ndirect\n0.000000 0.000000 0.500001 Ba\n0.500000 0.500000 0.500001 C\n0.500000 0.000000 0.000000 N\n0.000000 0.500000 0.000000 N\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"C",
"N"
],
"chemical_system": "Ba-C-N",
"density": 4.464383117921184,
"density_atomic": 0.06063710583577994,
"volume": 65.96620905412232,
"volume_molar": 9.931444908187776,
"formula_full": "Ba1 C1 N2",
"formula_reduced": "BaCN2",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.5840756175,
"spacegroup": 123
}
]
}