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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-elements&page=4060",
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"results": [
{
"id": "jvasp-19923",
"created_at": "2022-09-04T14:35:50.345614Z",
"updated_at": "2022-09-04T14:35:50.345649Z",
"structure_string": "Mn1 Se1\n1.0\n3.288222 -0.000000 1.898456\n1.096074 3.100166 1.898456\n0.000000 0.000000 3.796912\nMn Se\n1 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.499999 0.500001 0.500001 Se\n",
"nsites": 2,
"nelements": 2,
"elements": [
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"Se"
],
"chemical_system": "Mn-Se",
"density": 5.744427097026063,
"density_atomic": 0.051671775455428025,
"volume": 38.7058501933071,
"volume_molar": 11.654603904978428,
"formula_full": "Mn1 Se1",
"formula_reduced": "MnSe",
"formula_anonymous": "AB",
"energy_above_hull": 1.7380903040229885,
"spacegroup": 225
},
{
"id": "jvasp-23560",
"created_at": "2022-09-04T14:37:35.555661Z",
"updated_at": "2022-09-04T14:37:35.555686Z",
"structure_string": "Mn4 Se8\n1.0\n5.884166 -0.000000 0.000000\n-0.000000 5.884166 -0.000000\n-0.000000 -0.000000 5.884166\nMn Se\n4 8\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n0.500000 0.500000 0.000000 Mn\n0.000000 0.500000 0.500000 Mn\n0.371432 0.371432 0.371432 Se\n0.128568 0.628569 0.871432 Se\n0.871432 0.128568 0.628569 Se\n0.628569 0.871432 0.128568 Se\n0.628569 0.628569 0.628569 Se\n0.871432 0.371432 0.128568 Se\n0.128568 0.871432 0.371432 Se\n0.371432 0.128568 0.871432 Se\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Mn",
"Se"
],
"chemical_system": "Mn-Se",
"density": 6.939759324790948,
"density_atomic": 0.05890151933255256,
"volume": 203.729889075511,
"volume_molar": 10.224083908599281,
"formula_full": "Mn4 Se8",
"formula_reduced": "MnSe2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.0025913249042144,
"spacegroup": 205
},
{
"id": "jvasp-36322",
"created_at": "2022-09-04T14:37:18.199663Z",
"updated_at": "2022-09-04T14:37:18.199688Z",
"structure_string": "Mn1 Sb1\n1.0\n3.073685 3.073685 0.000000\n3.073685 0.000000 -3.073685\n-0.000000 3.073685 -3.073685\nMn Sb\n1 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.749999 0.749999 0.749999 Sb\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Mn",
"Sb"
],
"chemical_system": "Mn-Sb",
"density": 5.052109711852135,
"density_atomic": 0.03443673169134459,
"volume": 58.077520768403375,
"volume_molar": 17.487550252957423,
"formula_full": "Mn1 Sb1",
"formula_reduced": "MnSb",
"formula_anonymous": "AB",
"energy_above_hull": 2.2007716706896545,
"spacegroup": 216
},
{
"id": "jvasp-78285",
"created_at": "2022-09-04T14:37:09.720596Z",
"updated_at": "2022-09-04T14:37:09.720604Z",
"structure_string": "Mn1 Sb1\n1.0\n-2.786041 -2.786041 -0.000000\n-2.786041 0.000000 -2.786041\n-0.000000 -2.786041 -2.786041\nMn Sb\n1 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Sb\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Mn",
"Sb"
],
"chemical_system": "Mn-Sb",
"density": 6.784039006528355,
"density_atomic": 0.04624209377388724,
"volume": 43.250636741915734,
"volume_molar": 13.023071120972217,
"formula_full": "Mn1 Sb1",
"formula_reduced": "MnSb",
"formula_anonymous": "AB",
"energy_above_hull": 2.0546266706896548,
"spacegroup": 225
},
{
"id": "jvasp-36321",
"created_at": "2022-09-04T14:37:10.112901Z",
"updated_at": "2022-09-04T14:37:10.112919Z",
"structure_string": "Mn1 Sb1\n1.0\n3.176208 0.000000 0.000000\n-0.000000 3.176208 0.000000\n-0.000000 0.000000 3.176208\nMn Sb\n1 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Sb\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Mn",
"Sb"
],
"chemical_system": "Mn-Sb",
"density": 9.157017329488298,
"density_atomic": 0.06241704294916755,
"volume": 32.04253046125239,
"volume_molar": 9.648231437212482,
"formula_full": "Mn1 Sb1",
"formula_reduced": "MnSb",
"formula_anonymous": "AB",
"energy_above_hull": 2.194821670689655,
"spacegroup": 221
},
{
"id": "jvasp-19831",
"created_at": "2022-09-04T14:36:53.944565Z",
"updated_at": "2022-09-04T14:36:53.944591Z",
"structure_string": "Mn2 Sb2\n1.0\n2.040527 -3.534296 0.000000\n2.040527 3.534296 0.000000\n0.000000 0.000000 5.623806\nMn Sb\n2 2\ndirect\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.333334 0.666668 0.250000 Sb\n0.666668 0.333334 0.750000 Sb\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mn",
"Sb"
],
"chemical_system": "Mn-Sb",
"density": 7.234445450602106,
"density_atomic": 0.049312202451502266,
"volume": 81.11582531593339,
"volume_molar": 12.21227294790306,
"formula_full": "Mn2 Sb2",
"formula_reduced": "MnSb",
"formula_anonymous": "AB",
"energy_above_hull": 1.9724066706896548,
"spacegroup": 194
},
{
"id": "jvasp-80097",
"created_at": "2022-09-04T14:36:52.070433Z",
"updated_at": "2022-09-04T14:36:52.070458Z",
"structure_string": "Mn3 Sb1\n1.0\n3.813501 0.000000 -0.000000\n0.000000 3.813501 0.000000\n0.000000 -0.000000 3.813501\nMn Sb\n3 1\ndirect\n0.500000 0.500000 0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n0.000000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Sb\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mn",
"Sb"
],
"chemical_system": "Mn-Sb",
"density": 8.580537503317986,
"density_atomic": 0.07212542703380684,
"volume": 55.4589437387332,
"volume_molar": 8.3495391398893,
"formula_full": "Mn3 Sb1",
"formula_reduced": "Mn3Sb",
"formula_anonymous": "AB3",
"energy_above_hull": 3.624366956034482,
"spacegroup": 221
},
{
"id": "jvasp-78448",
"created_at": "2022-09-04T14:36:30.817376Z",
"updated_at": "2022-09-04T14:36:30.817404Z",
"structure_string": "Mn1 Sb1\n1.0\n3.176184 0.000000 -0.000000\n-0.000000 3.176184 -0.000000\n0.000000 -0.000000 3.176184\nMn Sb\n1 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.499999 0.499999 0.499999 Sb\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Mn",
"Sb"
],
"chemical_system": "Mn-Sb",
"density": 9.157224908844405,
"density_atomic": 0.062418457873822525,
"volume": 32.0418041093382,
"volume_molar": 9.648012727539054,
"formula_full": "Mn1 Sb1",
"formula_reduced": "MnSb",
"formula_anonymous": "AB",
"energy_above_hull": 2.194821670689655,
"spacegroup": 221
},
{
"id": "jvasp-94280",
"created_at": "2022-09-04T14:36:16.577917Z",
"updated_at": "2022-09-04T14:36:16.577946Z",
"structure_string": "Mn4 Sb2\n1.0\n3.926128 -0.000000 0.000000\n-0.000000 3.926128 -0.000000\n0.000000 0.000000 6.409623\nMn Sb\n4 2\ndirect\n0.500000 0.500000 0.000000 Mn\n0.000000 0.000000 0.000000 Mn\n0.500000 0.000000 0.271397 Mn\n0.000000 0.500000 0.728603 Mn\n0.500000 0.000000 0.703972 Sb\n0.000000 0.500000 0.296028 Sb\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mn",
"Sb"
],
"chemical_system": "Mn-Sb",
"density": 7.786170754310363,
"density_atomic": 0.06072812265142668,
"volume": 98.80101241461715,
"volume_molar": 9.9165600665222,
"formula_full": "Mn4 Sb2",
"formula_reduced": "Mn2Sb",
"formula_anonymous": "AB2",
"energy_above_hull": 3.024903527586207,
"spacegroup": 129
},
{
"id": "jvasp-17790",
"created_at": "2022-09-04T14:38:16.200700Z",
"updated_at": "2022-09-04T14:38:16.200732Z",
"structure_string": "Mn4 Sb2\n1.0\n3.926038 0.000000 -0.000000\n-0.000000 3.926038 0.000000\n-0.000000 0.000000 6.409852\nMn Sb\n4 2\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.000000 Mn\n0.000000 0.500000 0.271441 Mn\n0.500000 0.000000 0.728559 Mn\n0.000000 0.500000 0.704008 Sb\n0.500000 0.000000 0.295991 Sb\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mn",
"Sb"
],
"chemical_system": "Mn-Sb",
"density": 7.7862495533280365,
"density_atomic": 0.06072873724318957,
"volume": 98.80001252080818,
"volume_molar": 9.916459708167823,
"formula_full": "Mn4 Sb2",
"formula_reduced": "Mn2Sb",
"formula_anonymous": "AB2",
"energy_above_hull": 3.024880194252874,
"spacegroup": 129
},
{
"id": "jvasp-14403",
"created_at": "2022-09-04T14:38:11.342100Z",
"updated_at": "2022-09-04T14:38:11.342124Z",
"structure_string": "Mn4 Sb2\n1.0\n2.252318 -3.901130 -0.000000\n2.252318 3.901130 -0.000000\n-0.000000 0.000000 5.443679\nMn Sb\n4 2\ndirect\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.333333 0.666667 0.250000 Mn\n0.666667 0.333333 0.750000 Mn\n0.333333 0.666667 0.750000 Sb\n0.666667 0.333333 0.250000 Sb\n",
"nsites": 6,
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"elements": [
"Mn",
"Sb"
],
"chemical_system": "Mn-Sb",
"density": 8.041604027553449,
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"volume": 95.66269996919891,
"volume_molar": 9.60157074493606,
"formula_full": "Mn4 Sb2",
"formula_reduced": "Mn2Sb",
"formula_anonymous": "AB2",
"energy_above_hull": 3.094240194252873,
"spacegroup": 194
},
{
"id": "jvasp-19786",
"created_at": "2022-09-04T14:37:50.754491Z",
"updated_at": "2022-09-04T14:37:50.754510Z",
"structure_string": "Mn3 Sb1\n1.0\n3.813832 0.000000 -0.000000\n-0.000000 3.813832 -0.000000\n-0.000000 0.000000 3.813832\nMn Sb\n3 1\ndirect\n0.000000 0.500000 0.500000 Mn\n0.500000 0.500000 0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Sb\n",
"nsites": 4,
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"elements": [
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],
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"density": 8.578303599392536,
"density_atomic": 0.0721066495068147,
"volume": 55.47338598255027,
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"formula_full": "Mn3 Sb1",
"formula_reduced": "Mn3Sb",
"formula_anonymous": "AB3",
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"spacegroup": 221
}
]
}