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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=elements&page=585",
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"results": [
{
"id": "jvasp-30608",
"created_at": "2022-09-04T14:37:01.005685Z",
"updated_at": "2022-09-04T14:37:01.005710Z",
"structure_string": "Mn1 S2\n1.0\n6.517804 -0.316309 -0.187344\n5.911187 2.763998 -0.187344\n5.911187 1.164114 2.513886\nMn S\n1 2\ndirect\n0.000000 0.000000 0.000000 Mn\n0.593095 0.593093 0.593098 S\n0.406904 0.406903 0.406906 S\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Mn",
"S"
],
"chemical_system": "Mn-S",
"density": 3.6934364642143502,
"density_atomic": 0.05604121815379269,
"volume": 53.53202694072719,
"volume_molar": 10.745913380172377,
"formula_full": "Mn1 S2",
"formula_reduced": "MnS2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.248992413793103,
"spacegroup": 166
},
{
"id": "jvasp-7983",
"created_at": "2022-09-04T14:37:00.579448Z",
"updated_at": "2022-09-04T14:37:00.579475Z",
"structure_string": "Mn2 S2\n1.0\n1.037982 2.935859 1.797840\n-4.151912 -2.935845 3.595644\n3.113949 0.000000 1.797840\nMn S\n2 2\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500001 0.500000 0.499999 Mn\n0.750000 0.250000 0.749999 S\n0.250001 0.750000 0.250000 S\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mn",
"S"
],
"chemical_system": "Mn-S",
"density": 4.395001301280311,
"density_atomic": 0.06084227623490589,
"volume": 65.74375989084307,
"volume_molar": 9.897954403857481,
"formula_full": "Mn2 S2",
"formula_reduced": "MnS",
"formula_anonymous": "AB",
"energy_above_hull": 1.797493620689655,
"spacegroup": 225
},
{
"id": "jvasp-78280",
"created_at": "2022-09-04T14:36:32.431272Z",
"updated_at": "2022-09-04T14:36:32.431285Z",
"structure_string": "Mn2 Sb1\n1.0\n-2.993468 -2.993468 0.000000\n-2.993468 -0.000000 -2.993468\n0.000000 -2.993468 -2.993468\nMn Sb\n2 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.750000 0.750000 0.750000 Mn\n0.250000 0.250000 0.250000 Sb\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Mn",
"Sb"
],
"chemical_system": "Mn-Sb",
"density": 7.169707982430814,
"density_atomic": 0.055920030457967514,
"volume": 53.648039449029994,
"volume_molar": 10.76920150200305,
"formula_full": "Mn2 Sb1",
"formula_reduced": "Mn2Sb",
"formula_anonymous": "AB2",
"energy_above_hull": 3.0309635275862075,
"spacegroup": 216
},
{
"id": "jvasp-108656",
"created_at": "2022-09-04T14:38:27.073865Z",
"updated_at": "2022-09-04T14:38:27.073893Z",
"structure_string": "Mn3 Sb1\n1.0\n3.656740 -0.000000 2.111220\n1.218913 3.447608 2.111220\n-0.000000 -0.000000 4.222440\nMn Sb\n3 1\ndirect\n0.749999 0.750001 0.750000 Mn\n0.250000 0.250000 0.250000 Mn\n0.000000 0.000000 0.000000 Mn\n0.499999 0.500000 0.500000 Sb\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mn",
"Sb"
],
"chemical_system": "Mn-Sb",
"density": 8.93944668126582,
"density_atomic": 0.07514231003394876,
"volume": 53.23232674365252,
"volume_molar": 8.014314115814697,
"formula_full": "Mn3 Sb1",
"formula_reduced": "Mn3Sb",
"formula_anonymous": "AB3",
"energy_above_hull": 3.621061956034482,
"spacegroup": 225
},
{
"id": "jvasp-101002",
"created_at": "2022-09-04T14:36:51.407747Z",
"updated_at": "2022-09-04T14:36:51.407764Z",
"structure_string": "Mn6 Sb2\n1.0\n5.433837 0.000000 0.000000\n-2.716918 4.705841 0.000000\n0.000000 0.000000 4.294794\nMn Sb\n6 2\ndirect\n0.150632 0.301262 0.250000 Mn\n0.698738 0.849368 0.250000 Mn\n0.150631 0.849368 0.250000 Mn\n0.849368 0.698737 0.749999 Mn\n0.301262 0.150632 0.749999 Mn\n0.849369 0.150632 0.749999 Mn\n0.333333 0.666666 0.749999 Sb\n0.666667 0.333333 0.250000 Sb\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Mn",
"Sb"
],
"chemical_system": "Mn-Sb",
"density": 8.666223590425629,
"density_atomic": 0.07284567860558831,
"volume": 109.82120220630746,
"volume_molar": 8.266984226485077,
"formula_full": "Mn6 Sb2",
"formula_reduced": "Mn3Sb",
"formula_anonymous": "AB3",
"energy_above_hull": 3.619759456034482,
"spacegroup": 194
},
{
"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-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-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-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-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,
"nelements": 2,
"elements": [
"Mn",
"Sb"
],
"chemical_system": "Mn-Sb",
"density": 8.041604027553449,
"density_atomic": 0.06272037065577132,
"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-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
}
]
}