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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=elements&page=571",
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"results": [
{
"id": "jvasp-5170",
"created_at": "2022-09-04T14:35:42.398026Z",
"updated_at": "2022-09-04T14:35:42.398045Z",
"structure_string": "Mn2 Bi2\n1.0\n1.993163 -3.452259 0.000000\n1.993163 3.452259 0.000000\n0.000000 0.000000 7.202559\nMn Bi\n2 2\ndirect\n0.666666 0.333332 0.250000 Mn\n0.333332 0.666666 0.750000 Mn\n0.000000 0.000000 0.500000 Bi\n0.000000 0.000000 0.000000 Bi\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mn",
"Bi"
],
"chemical_system": "Bi-Mn",
"density": 8.842719105536505,
"density_atomic": 0.040354965847942084,
"volume": 99.1203911576097,
"volume_molar": 14.922923693434624,
"formula_full": "Mn2 Bi2",
"formula_reduced": "MnBi",
"formula_anonymous": "AB",
"energy_above_hull": 1.9738707706896548,
"spacegroup": 194
},
{
"id": "jvasp-29599",
"created_at": "2022-09-04T14:37:56.984101Z",
"updated_at": "2022-09-04T14:37:56.984124Z",
"structure_string": "Mn1 Br2\n1.0\n3.476371 0.030208 5.314381\n1.606297 3.083159 5.314381\n0.049315 0.030208 6.350225\nMn Br\n1 2\ndirect\n0.000000 0.000000 0.000000 Mn\n0.743408 0.743408 0.743406 Br\n0.256593 0.256593 0.256592 Br\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Mn",
"Br"
],
"chemical_system": "Br-Mn",
"density": 5.3498853671150846,
"density_atomic": 0.045008180814363904,
"volume": 66.65454914459863,
"volume_molar": 13.380102574770353,
"formula_full": "Mn1 Br2",
"formula_reduced": "MnBr2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.1515618171264368,
"spacegroup": 166
},
{
"id": "jvasp-54866",
"created_at": "2022-09-04T14:37:55.247887Z",
"updated_at": "2022-09-04T14:37:55.247919Z",
"structure_string": "Mn4 Br8\n1.0\n6.659206 0.000000 3.844694\n2.219735 6.278360 3.844694\n0.000000 0.000000 7.689389\nMn Br\n4 8\ndirect\n0.500001 0.500000 -0.000001 Mn\n0.500001 0.500000 0.499999 Mn\n0.500000 -0.000000 0.500000 Mn\n0.000000 0.500000 0.500000 Mn\n0.747326 0.747325 0.747324 Br\n0.747326 0.258026 0.747324 Br\n0.252675 0.252675 0.252675 Br\n0.252676 0.741974 0.252674 Br\n0.252675 0.252675 0.741974 Br\n0.258027 0.747325 0.747324 Br\n0.741975 0.252675 0.252674 Br\n0.747326 0.747325 0.258025 Br\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Mn",
"Br"
],
"chemical_system": "Br-Mn",
"density": 4.436839989547396,
"density_atomic": 0.037326799135069,
"volume": 321.48483872344275,
"volume_molar": 16.133557924987258,
"formula_full": "Mn4 Br8",
"formula_reduced": "MnBr2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.9511184837931036,
"spacegroup": 227
},
{
"id": "jvasp-2041",
"created_at": "2022-09-04T14:36:30.518541Z",
"updated_at": "2022-09-04T14:36:30.518569Z",
"structure_string": "Mn1 Br2\n1.0\n1.926449 -3.336708 0.000000\n1.926449 3.336708 0.000000\n0.000000 -0.000000 6.214440\nMn Br\n1 2\ndirect\n0.000000 0.000000 0.000000 Mn\n0.333333 0.666667 0.243508 Br\n0.666667 0.333333 0.756492 Br\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Mn",
"Br"
],
"chemical_system": "Br-Mn",
"density": 4.463407695481253,
"density_atomic": 0.0375503112349439,
"volume": 79.89281317083288,
"volume_molar": 16.037525554237916,
"formula_full": "Mn1 Br2",
"formula_reduced": "MnBr2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.9506584837931036,
"spacegroup": 164
},
{
"id": "jvasp-116568",
"created_at": "2022-09-04T14:38:32.311057Z",
"updated_at": "2022-09-04T14:38:32.311084Z",
"structure_string": "Mn24 C4\n1.0\n6.371872 -0.000000 3.678802\n2.123957 6.007459 3.678802\n-0.000000 -0.000000 7.357604\nMn C\n24 4\ndirect\n0.625000 0.625000 0.124999 Mn\n0.801241 0.198759 0.198759 Mn\n0.198759 0.801241 0.198759 Mn\n0.801241 0.801241 0.198759 Mn\n0.198759 0.801241 0.801240 Mn\n0.801241 0.198759 0.801240 Mn\n0.198759 0.198759 0.801240 Mn\n0.448759 0.051241 0.051241 Mn\n0.051241 0.448759 0.051241 Mn\n0.448759 0.448759 0.051240 Mn\n0.051241 0.448759 0.448759 Mn\n0.051241 0.051241 0.448759 Mn\n0.448759 0.051241 0.448759 Mn\n0.494089 0.835303 0.835302 Mn\n0.835303 0.494089 0.835302 Mn\n0.835303 0.835303 0.494089 Mn\n0.414697 0.414697 0.414696 Mn\n0.755910 0.414697 0.414696 Mn\n0.414697 0.755911 0.414696 Mn\n0.414697 0.414697 0.755910 Mn\n0.625000 0.625000 0.624999 Mn\n0.125000 0.625000 0.624999 Mn\n0.625000 0.125000 0.624999 Mn\n0.835303 0.835303 0.835302 Mn\n0.625000 0.125000 0.125000 C\n0.125000 0.125000 0.625000 C\n0.125000 0.625000 0.125000 C\n0.125000 0.125000 0.125000 C\n",
"nsites": 28,
"nelements": 2,
"elements": [
"Mn",
"C"
],
"chemical_system": "C-Mn",
"density": 8.057164389215808,
"density_atomic": 0.09941771182180852,
"volume": 281.6399561698407,
"volume_molar": 6.057412356053611,
"formula_full": "Mn24 C4",
"formula_reduced": "Mn6C",
"formula_anonymous": "AB6",
"energy_above_hull": 5.13492906403941,
"spacegroup": 227
},
{
"id": "jvasp-2038",
"created_at": "2022-09-04T14:36:54.903520Z",
"updated_at": "2022-09-04T14:36:54.903540Z",
"structure_string": "Mn1 Cl2\n1.0\n3.510219 -0.002900 5.083226\n1.582433 3.133298 5.083226\n-0.004718 -0.002900 6.177443\nMn Cl\n1 2\ndirect\n0.000000 0.000000 0.000000 Mn\n0.746612 0.746614 0.746614 Cl\n0.253386 0.253387 0.253387 Cl\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Mn",
"Cl"
],
"chemical_system": "Cl-Mn",
"density": 3.069688413141084,
"density_atomic": 0.04406905957210381,
"volume": 68.0749720808436,
"volume_molar": 13.665235470130343,
"formula_full": "Mn1 Cl2",
"formula_reduced": "MnCl2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.9581617921264364,
"spacegroup": 166
},
{
"id": "jvasp-36317",
"created_at": "2022-09-04T14:37:08.116402Z",
"updated_at": "2022-09-04T14:37:08.116432Z",
"structure_string": "Mn1 Co1\n1.0\n2.847271 0.000000 -0.000000\n-0.000000 2.847271 0.000000\n0.000000 0.000000 2.847271\nMn Co\n1 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Co\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Mn",
"Co"
],
"chemical_system": "Co-Mn",
"density": 8.191750816225182,
"density_atomic": 0.08664501502433974,
"volume": 23.08268974779649,
"volume_molar": 6.950360339031969,
"formula_full": "Mn1 Co1",
"formula_reduced": "MnCo",
"formula_anonymous": "AB",
"energy_above_hull": 2.525054070689655,
"spacegroup": 221
},
{
"id": "jvasp-80115",
"created_at": "2022-09-04T14:37:08.890971Z",
"updated_at": "2022-09-04T14:37:08.890989Z",
"structure_string": "Mn1 Co3\n1.0\n3.499447 -0.000000 0.000000\n0.000000 3.499447 0.000000\n-0.000000 -0.000000 3.499447\nMn Co\n1 3\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.000000 Co\n0.500000 0.000000 0.500000 Co\n0.000000 0.500000 0.500000 Co\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mn",
"Co"
],
"chemical_system": "Co-Mn",
"density": 8.979401635442379,
"density_atomic": 0.09333869619344164,
"volume": 42.854680460825385,
"volume_molar": 6.451922948997804,
"formula_full": "Mn1 Co3",
"formula_reduced": "MnCo3",
"formula_anonymous": "AB3",
"energy_above_hull": 3.525959985344828,
"spacegroup": 221
},
{
"id": "jvasp-107960",
"created_at": "2022-09-04T14:36:13.048910Z",
"updated_at": "2022-09-04T14:36:13.048939Z",
"structure_string": "Mn2 Co6\n1.0\n4.921870 -0.000000 0.000000\n-2.460934 4.262465 0.000000\n-0.000000 -0.000000 3.931383\nMn Co\n2 6\ndirect\n0.333334 0.666667 0.749999 Mn\n0.666667 0.333334 0.250000 Mn\n0.167696 0.335392 0.250000 Co\n0.664609 0.832305 0.250000 Co\n0.167697 0.832305 0.250000 Co\n0.832305 0.664609 0.749999 Co\n0.335392 0.167696 0.749999 Co\n0.832304 0.167696 0.749999 Co\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Mn",
"Co"
],
"chemical_system": "Co-Mn",
"density": 9.331239455348197,
"density_atomic": 0.09699596476375813,
"volume": 82.47765790550851,
"volume_molar": 6.208650818276238,
"formula_full": "Mn2 Co6",
"formula_reduced": "MnCo3",
"formula_anonymous": "AB3",
"energy_above_hull": 3.528567485344828,
"spacegroup": 194
},
{
"id": "jvasp-102534",
"created_at": "2022-09-04T14:36:58.007148Z",
"updated_at": "2022-09-04T14:36:58.007169Z",
"structure_string": "Mn6 Co2\n1.0\n4.957607 -0.000000 0.000000\n-2.478803 4.293414 0.000000\n-0.000000 -0.000000 3.932702\nMn Co\n6 2\ndirect\n0.162166 0.324331 0.250000 Mn\n0.675670 0.837834 0.250000 Mn\n0.162166 0.837834 0.250000 Mn\n0.837835 0.675668 0.750000 Mn\n0.324331 0.162165 0.750000 Mn\n0.837835 0.162165 0.750000 Mn\n0.333334 0.666666 0.750000 Co\n0.666667 0.333333 0.250000 Co\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Mn",
"Co"
],
"chemical_system": "Co-Mn",
"density": 8.87709875210237,
"density_atomic": 0.09557054959101438,
"volume": 83.70779528040055,
"volume_molar": 6.301251573597947,
"formula_full": "Mn6 Co2",
"formula_reduced": "Mn3Co",
"formula_anonymous": "AB3",
"energy_above_hull": 3.9809106560344825,
"spacegroup": 194
},
{
"id": "jvasp-37185",
"created_at": "2022-09-04T14:38:02.820420Z",
"updated_at": "2022-09-04T14:38:02.820439Z",
"structure_string": "Mn1 Co3\n1.0\n3.499573 0.000000 -0.000000\n-0.000000 3.499573 -0.000000\n-0.000000 -0.000000 3.499573\nMn Co\n1 3\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.000000 Co\n0.500000 0.000000 0.500000 Co\n0.000000 0.500000 0.500000 Co\n",
"nsites": 4,
"nelements": 2,
"elements": [
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"Co"
],
"chemical_system": "Co-Mn",
"density": 8.978431776658736,
"density_atomic": 0.0933286147472571,
"volume": 42.85930966437664,
"volume_molar": 6.4526198918826125,
"formula_full": "Mn1 Co3",
"formula_reduced": "MnCo3",
"formula_anonymous": "AB3",
"energy_above_hull": 3.525987485344828,
"spacegroup": 221
},
{
"id": "jvasp-78386",
"created_at": "2022-09-04T14:37:52.455132Z",
"updated_at": "2022-09-04T14:37:52.455151Z",
"structure_string": "Mn1 Co1\n1.0\n2.846761 0.000000 0.000000\n-0.000000 2.846761 0.000000\n-0.000000 0.000000 2.846761\nMn Co\n1 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Co\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Mn",
"Co"
],
"chemical_system": "Co-Mn",
"density": 8.196154285378338,
"density_atomic": 0.08669159098343493,
"volume": 23.070288332603806,
"volume_molar": 6.946626185636291,
"formula_full": "Mn1 Co1",
"formula_reduced": "MnCo",
"formula_anonymous": "AB",
"energy_above_hull": 2.525369070689655,
"spacegroup": 221
}
]
}