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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_reduced&page=265",
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"results": [
{
"id": "jvasp-64726",
"created_at": "2022-09-04T14:35:54.214745Z",
"updated_at": "2022-09-04T14:35:54.214770Z",
"structure_string": "Ba4 Mg1 Zr1\n1.0\n-0.000000 5.051452 5.051452\n5.051452 0.000000 5.051452\n5.051452 5.051452 -0.000000\nBa Mg Zr\n4 1 1\ndirect\n0.123922 0.625359 0.625359 Ba\n0.625359 0.625359 0.625359 Ba\n0.625359 0.123922 0.625359 Ba\n0.625359 0.625359 0.123922 Ba\n0.250000 0.250000 0.250000 Mg\n0.000000 0.000000 0.000000 Zr\n",
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"elements": [
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{
"id": "jvasp-64088",
"created_at": "2022-09-04T14:36:18.935422Z",
"updated_at": "2022-09-04T14:36:18.935432Z",
"structure_string": "Ba4 Mn1 Bi1\n1.0\n-0.000000 4.918430 4.918430\n4.918430 -0.000000 4.918430\n4.918430 4.918430 -0.000000\nBa Mn Bi\n4 1 1\ndirect\n0.125582 0.624806 0.624806 Ba\n0.624806 0.624806 0.624806 Ba\n0.624806 0.125582 0.624806 Ba\n0.624806 0.624806 0.125582 Ba\n0.000000 0.000000 0.000000 Mn\n0.250000 0.250000 0.250000 Bi\n",
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"elements": [
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{
"id": "jvasp-64583",
"created_at": "2022-09-04T14:35:43.742935Z",
"updated_at": "2022-09-04T14:35:43.742966Z",
"structure_string": "Ba4 Mn1 Cd1\n1.0\n-0.000000 4.975819 4.975819\n4.975819 0.000000 4.975819\n4.975819 4.975819 0.000000\nBa Mn Cd\n4 1 1\ndirect\n0.124302 0.625233 0.625233 Ba\n0.625233 0.625233 0.625233 Ba\n0.625233 0.124302 0.625233 Ba\n0.625233 0.625233 0.124302 Ba\n0.000000 0.000000 0.000000 Mn\n0.250000 0.250000 0.250000 Cd\n",
"nsites": 6,
"nelements": 3,
"elements": [
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"Cd"
],
"chemical_system": "Ba-Cd-Mn",
"density": 4.829884596226706,
"density_atomic": 0.024351601736993668,
"volume": 246.3903633445646,
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"formula_full": "Ba4 Mn1 Cd1",
"formula_reduced": "Ba4MnCd",
"formula_anonymous": "ABC4",
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"spacegroup": 216
},
{
"id": "jvasp-64384",
"created_at": "2022-09-04T14:38:12.005778Z",
"updated_at": "2022-09-04T14:38:12.005803Z",
"structure_string": "Ba4 Mn1 Cl1\n1.0\n0.000000 5.011865 5.011865\n5.011865 -0.000000 5.011865\n5.011865 5.011865 -0.000000\nBa Mn Cl\n4 1 1\ndirect\n0.123466 0.625511 0.625511 Ba\n0.625511 0.625511 0.625511 Ba\n0.625511 0.123466 0.625511 Ba\n0.625511 0.625511 0.123466 Ba\n0.000000 0.000000 0.000000 Mn\n0.250000 0.250000 0.250000 Cl\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Mn",
"Cl"
],
"chemical_system": "Ba-Cl-Mn",
"density": 4.218875518071425,
"density_atomic": 0.023829951686913067,
"volume": 251.7839766874173,
"volume_molar": 25.271309145403087,
"formula_full": "Ba4 Mn1 Cl1",
"formula_reduced": "Ba4MnCl",
"formula_anonymous": "ABC4",
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"spacegroup": 216
},
{
"id": "jvasp-64082",
"created_at": "2022-09-04T14:36:13.667558Z",
"updated_at": "2022-09-04T14:36:13.667592Z",
"structure_string": "Ba4 Mn1 Co1\n1.0\n0.000000 4.864458 4.864458\n4.864458 0.000000 4.864458\n4.864458 4.864458 0.000000\nBa Mn Co\n4 1 1\ndirect\n0.124962 0.625013 0.625013 Ba\n0.625013 0.625013 0.625013 Ba\n0.625013 0.124962 0.625013 Ba\n0.625013 0.625013 0.124962 Ba\n0.000000 0.000000 0.000000 Mn\n0.250000 0.250000 0.250000 Co\n",
"nsites": 6,
"nelements": 3,
"elements": [
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"Mn",
"Co"
],
"chemical_system": "Ba-Co-Mn",
"density": 4.783509606152833,
"density_atomic": 0.026062608520453327,
"volume": 230.2148687569527,
"volume_molar": 23.106439078321593,
"formula_full": "Ba4 Mn1 Co1",
"formula_reduced": "Ba4MnCo",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.4666603368965516,
"spacegroup": 216
},
{
"id": "jvasp-66604",
"created_at": "2022-09-04T14:36:20.736634Z",
"updated_at": "2022-09-04T14:36:20.736662Z",
"structure_string": "Ba4 Mn1 Cr1\n1.0\n-0.000000 4.862634 4.862634\n4.862634 -0.000000 4.862634\n4.862634 4.862634 -0.000000\nBa Mn Cr\n4 1 1\ndirect\n0.124814 0.625062 0.625062 Ba\n0.625062 0.625062 0.625062 Ba\n0.625062 0.124814 0.625062 Ba\n0.625062 0.625062 0.124814 Ba\n0.000000 0.000000 0.000000 Mn\n0.250000 0.250000 0.250000 Cr\n",
"nsites": 6,
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"elements": [
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"Cr"
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"chemical_system": "Ba-Cr-Mn",
"density": 4.738801014119455,
"density_atomic": 0.026091948194384994,
"volume": 229.9559985057461,
"volume_molar": 23.080456526799214,
"formula_full": "Ba4 Mn1 Cr1",
"formula_reduced": "Ba4MnCr",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.790764753563218,
"spacegroup": 216
},
{
"id": "jvasp-64798",
"created_at": "2022-09-04T14:37:41.406045Z",
"updated_at": "2022-09-04T14:37:41.406063Z",
"structure_string": "Ba4 Mn1 Cu1\n1.0\n0.000000 4.901110 4.901110\n4.901110 0.000000 4.901110\n4.901110 4.901110 0.000000\nBa Mn Cu\n4 1 1\ndirect\n0.124723 0.625093 0.625093 Ba\n0.625093 0.625093 0.625093 Ba\n0.625093 0.124723 0.625093 Ba\n0.625093 0.625093 0.124723 Ba\n0.000000 0.000000 0.000000 Mn\n0.250000 0.250000 0.250000 Cu\n",
"nsites": 6,
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"elements": [
"Ba",
"Mn",
"Cu"
],
"chemical_system": "Ba-Cu-Mn",
"density": 4.7095237721686205,
"density_atomic": 0.02548225779931239,
"volume": 235.45794282647526,
"volume_molar": 23.63268124601777,
"formula_full": "Ba4 Mn1 Cu1",
"formula_reduced": "Ba4MnCu",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.7373352618965516,
"spacegroup": 216
},
{
"id": "jvasp-64061",
"created_at": "2022-09-04T14:35:59.801189Z",
"updated_at": "2022-09-04T14:35:59.801211Z",
"structure_string": "Ba4 Mn1 Fe1\n1.0\n0.000000 4.897057 4.897057\n4.897057 0.000000 4.897057\n4.897057 4.897057 0.000000\nBa Mn Fe\n4 1 1\ndirect\n0.124591 0.625137 0.625137 Ba\n0.625137 0.625137 0.625137 Ba\n0.625137 0.124591 0.625137 Ba\n0.625137 0.625137 0.124591 Ba\n0.000000 0.000000 0.000000 Mn\n0.250000 0.250000 0.250000 Fe\n",
"nsites": 6,
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"elements": [
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"Fe"
],
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"density": 4.666781478538955,
"density_atomic": 0.025545580582419194,
"volume": 234.87428600974053,
"volume_molar": 23.57410018758594,
"formula_full": "Ba4 Mn1 Fe1",
"formula_reduced": "Ba4MnFe",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.4941744368965515,
"spacegroup": 216
},
{
"id": "jvasp-63950",
"created_at": "2022-09-04T14:36:11.285487Z",
"updated_at": "2022-09-04T14:36:11.285511Z",
"structure_string": "Ba4 Mn1 Ge1\n1.0\n-0.000000 4.955285 4.955285\n4.955285 -0.000000 4.955285\n4.955285 4.955285 0.000000\nBa Mn Ge\n4 1 1\ndirect\n0.127444 0.624186 0.624186 Ba\n0.624186 0.624186 0.624186 Ba\n0.624186 0.127444 0.624186 Ba\n0.624186 0.624186 0.127444 Ba\n0.000000 0.000000 0.000000 Mn\n0.250000 0.250000 0.250000 Ge\n",
"nsites": 6,
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"elements": [
"Ba",
"Mn",
"Ge"
],
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"density": 4.618795662072383,
"density_atomic": 0.02465558671249271,
"volume": 243.35255412761552,
"volume_molar": 24.425055587700328,
"formula_full": "Ba4 Mn1 Ge1",
"formula_reduced": "Ba4MnGe",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.8702445118965516,
"spacegroup": 216
},
{
"id": "jvasp-66217",
"created_at": "2022-09-04T14:35:59.579615Z",
"updated_at": "2022-09-04T14:35:59.579641Z",
"structure_string": "Ba4 Mn1 Hg1\n1.0\n-0.000000 4.949698 4.949698\n4.949698 0.000000 4.949698\n4.949698 4.949698 0.000000\nBa Mn Hg\n4 1 1\ndirect\n0.124756 0.625082 0.625082 Ba\n0.625082 0.625082 0.625082 Ba\n0.625082 0.124756 0.625082 Ba\n0.625082 0.625082 0.124756 Ba\n0.000000 0.000000 0.000000 Mn\n0.250000 0.250000 0.250000 Hg\n",
"nsites": 6,
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"elements": [
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"Mn",
"Hg"
],
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"density": 5.5104924884808035,
"density_atomic": 0.024739171392868287,
"volume": 242.53035417870367,
"volume_molar": 24.342532190613465,
"formula_full": "Ba4 Mn1 Hg1",
"formula_reduced": "Ba4MnHg",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.467252620229885,
"spacegroup": 216
},
{
"id": "jvasp-63997",
"created_at": "2022-09-04T14:36:14.944866Z",
"updated_at": "2022-09-04T14:36:14.944896Z",
"structure_string": "Ba4 Mn1 Mo1\n1.0\n-0.000000 4.875806 4.875806\n4.875806 -0.000000 4.875806\n4.875806 4.875806 0.000000\nBa Mn Mo\n4 1 1\ndirect\n0.125078 0.624975 0.624975 Ba\n0.624975 0.624975 0.624975 Ba\n0.624975 0.125078 0.624975 Ba\n0.624975 0.624975 0.125078 Ba\n0.250000 0.250000 0.250000 Mn\n0.000000 0.000000 0.000000 Mo\n",
"nsites": 6,
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"elements": [
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"volume": 231.8297933154002,
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"formula_full": "Ba4 Mn1 Mo1",
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"formula_anonymous": "ABC4",
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"spacegroup": 216
},
{
"id": "jvasp-66456",
"created_at": "2022-09-04T14:35:51.647212Z",
"updated_at": "2022-09-04T14:35:51.647238Z",
"structure_string": "Ba4 Mn1 Nb1\n1.0\n-0.000000 4.886652 4.886652\n4.886652 -0.000000 4.886652\n4.886652 4.886652 0.000000\nBa Mn Nb\n4 1 1\ndirect\n0.125006 0.624998 0.624998 Ba\n0.624998 0.624998 0.624998 Ba\n0.624998 0.125006 0.624998 Ba\n0.624998 0.624998 0.125006 Ba\n0.250000 0.250000 0.250000 Mn\n0.000000 0.000000 0.000000 Nb\n",
"nsites": 6,
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"elements": [
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],
"chemical_system": "Ba-Mn-Nb",
"density": 4.960353274142274,
"density_atomic": 0.025709108575389165,
"volume": 233.38032053525515,
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"formula_full": "Ba4 Mn1 Nb1",
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"spacegroup": 216
}
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}