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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-elements&page=4073",
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"results": [
{
"id": "jvasp-118739",
"created_at": "2022-09-04T14:38:47.217160Z",
"updated_at": "2022-09-04T14:38:47.217191Z",
"structure_string": "Mn1 F2\n1.0\n3.853945 0.000000 -0.001744\n0.000000 2.957512 0.000000\n0.001346 0.000000 3.832222\nMn F\n1 2\ndirect\n0.633344 0.000000 -0.033325 Mn\n-0.366689 0.000000 -0.533320 F\n0.133346 0.000000 0.966646 F\n",
"nsites": 3,
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"elements": [
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"density": 3.533010674520797,
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"volume": 43.68001277530736,
"volume_molar": 8.768239511049973,
"formula_full": "Mn1 F2",
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},
{
"id": "jvasp-30292",
"created_at": "2022-09-04T14:37:58.384108Z",
"updated_at": "2022-09-04T14:37:58.384117Z",
"structure_string": "Mn2 F6\n1.0\n2.517028 4.360647 0.000244\n-2.517028 4.360647 -0.000244\n0.004463 0.000000 4.518312\nMn F\n2 6\ndirect\n0.666677 0.666700 0.499997 Mn\n0.333301 0.333324 0.499997 Mn\n0.636862 0.999788 0.277306 F\n0.000213 0.363139 0.277306 F\n0.363573 0.636428 0.277462 F\n0.636406 0.363595 0.722533 F\n0.999765 0.636884 0.722688 F\n0.363117 0.000236 0.722688 F\n",
"nsites": 8,
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"density": 3.747943849630519,
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"volume": 99.1848061615478,
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"formula_full": "Mn2 F6",
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"spacegroup": 162
},
{
"id": "jvasp-102840",
"created_at": "2022-09-04T14:36:49.808101Z",
"updated_at": "2022-09-04T14:36:49.808113Z",
"structure_string": "Mn2 F8\n1.0\n4.543171 0.000000 0.000000\n-0.000000 4.721275 2.481773\n-0.000000 0.159446 5.449045\nMn F\n2 8\ndirect\n0.500000 0.500000 -0.000000 Mn\n0.000000 0.000000 0.000000 Mn\n0.749833 0.174517 0.150220 F\n0.750167 0.674516 0.150220 F\n0.298590 0.342194 0.314801 F\n0.201410 0.842193 0.314801 F\n0.798590 0.157807 0.685197 F\n0.701410 0.657806 0.685197 F\n0.249833 0.325484 0.849778 F\n0.250167 0.825483 0.849778 F\n",
"nsites": 10,
"nelements": 2,
"elements": [
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],
"chemical_system": "F-Mn",
"density": 3.778478460269223,
"density_atomic": 0.08689468054009782,
"volume": 115.08184319045249,
"volume_molar": 6.930390586131524,
"formula_full": "Mn2 F8",
"formula_reduced": "MnF4",
"formula_anonymous": "AB4",
"energy_above_hull": 0.319027674275862,
"spacegroup": 64
},
{
"id": "jvasp-25907",
"created_at": "2022-09-04T14:38:30.538405Z",
"updated_at": "2022-09-04T14:38:30.538434Z",
"structure_string": "Mn6 F18\n1.0\n5.172652 0.000000 0.000000\n-2.586326 4.479155 0.001138\n0.000000 -0.001441 13.433134\nMn F\n6 18\ndirect\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.666652 0.333330 0.333329 Mn\n0.333322 0.666671 0.166671 Mn\n0.333348 0.666671 0.666671 Mn\n0.666677 0.333330 0.833329 Mn\n0.333376 0.263072 0.416681 F\n0.070304 0.736929 0.083319 F\n0.666624 0.736929 0.583319 F\n0.929696 0.263072 0.916680 F\n0.666732 0.929778 0.083357 F\n0.736956 0.070224 0.416643 F\n0.333268 0.070224 0.916643 F\n0.263044 0.929778 0.583357 F\n-0.000101 0.403535 0.249976 F\n0.403635 0.403535 0.749976 F\n0.403465 0.000000 0.250000 F\n0.596364 0.596466 0.250024 F\n0.263161 0.333377 0.083330 F\n0.929785 0.666624 0.416670 F\n0.736838 0.666624 0.916670 F\n0.070215 0.333377 0.583329 F\n0.000100 0.596466 0.750024 F\n0.596535 0.000000 0.750000 F\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Mn",
"F"
],
"chemical_system": "F-Mn",
"density": 3.583214178027815,
"density_atomic": 0.07711245505325746,
"volume": 311.23376870084707,
"volume_molar": 7.8095565182574305,
"formula_full": "Mn6 F18",
"formula_reduced": "MnF3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.3165170222198276,
"spacegroup": 167
},
{
"id": "jvasp-22515",
"created_at": "2022-09-04T14:37:40.350278Z",
"updated_at": "2022-09-04T14:37:40.350307Z",
"structure_string": "Mn4 F8\n1.0\n4.705491 -0.000000 0.000000\n-0.000000 4.744235 0.000000\n0.000000 0.000000 5.592879\nMn F\n4 8\ndirect\n0.500000 0.750001 0.374803 Mn\n0.000000 0.250000 0.125197 Mn\n0.500000 0.250000 0.625197 Mn\n0.000000 0.750001 0.874803 Mn\n0.755151 0.084447 0.374072 F\n0.255151 0.915554 0.125928 F\n0.744849 0.584447 0.125928 F\n0.244849 0.415554 0.374072 F\n0.755151 0.584447 0.625929 F\n0.255151 0.415554 0.874072 F\n0.744849 0.084447 0.874072 F\n0.244849 0.915554 0.625929 F\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Mn",
"F"
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"chemical_system": "F-Mn",
"density": 4.944030414692539,
"density_atomic": 0.09611135104033354,
"volume": 124.85517964432889,
"volume_molar": 6.265795553610295,
"formula_full": "Mn4 F8",
"formula_reduced": "MnF2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.6046259354597701,
"spacegroup": 60
},
{
"id": "jvasp-118732",
"created_at": "2022-09-04T14:38:53.607990Z",
"updated_at": "2022-09-04T14:38:53.608031Z",
"structure_string": "Mn1 F1\n1.0\n5.291772 0.000000 0.000000\n0.000000 5.291772 0.000000\n0.000000 0.000000 7.408481\nMn F\n1 1\ndirect\n0.000000 0.000000 0.835383 Mn\n0.000000 0.000000 0.164616 F\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Mn",
"F"
],
"chemical_system": "F-Mn",
"density": 0.5918017729186594,
"density_atomic": 0.009640478185062007,
"volume": 207.45858883836436,
"volume_molar": 62.46724119277975,
"formula_full": "Mn1 F1",
"formula_reduced": "MnF",
"formula_anonymous": "AB",
"energy_above_hull": 1.745763761939655,
"spacegroup": 99
},
{
"id": "jvasp-116337",
"created_at": "2022-09-04T14:38:50.579879Z",
"updated_at": "2022-09-04T14:38:50.579900Z",
"structure_string": "Mn1 F3\n1.0\n3.792050 0.114916 -0.538043\n0.217032 -2.936050 0.242208\n1.306798 -2.262745 -4.232863\nMn F\n1 3\ndirect\n0.411718 0.100903 0.897731 Mn\n0.911698 0.100931 0.897747 F\n0.553989 -0.225376 0.597893 F\n0.269340 0.427229 0.197580 F\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mn",
"F"
],
"chemical_system": "F-Mn",
"density": 3.909154202998719,
"density_atomic": 0.08412683774903597,
"volume": 47.54725254184224,
"volume_molar": 7.158406188956043,
"formula_full": "Mn1 F3",
"formula_reduced": "MnF3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.3464820222198276,
"spacegroup": 2
},
{
"id": "jvasp-118735",
"created_at": "2022-09-04T14:38:51.427544Z",
"updated_at": "2022-09-04T14:38:51.427562Z",
"structure_string": "Mn1 F2\n1.0\n7.007305 -0.000000 -0.000000\n0.000000 7.007305 -0.000000\n-0.000000 -0.000000 8.564757\nMn F\n1 2\ndirect\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.208858 F\n0.000000 0.000000 0.791142 F\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Mn",
"F"
],
"chemical_system": "F-Mn",
"density": 0.36695314876458696,
"density_atomic": 0.0071335246626839845,
"volume": 420.5494677397319,
"volume_molar": 84.42026970905813,
"formula_full": "Mn1 F2",
"formula_reduced": "MnF2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.6486692687931033,
"spacegroup": 123
},
{
"id": "jvasp-118737",
"created_at": "2022-09-04T14:38:52.881942Z",
"updated_at": "2022-09-04T14:38:52.881973Z",
"structure_string": "Mn1 F2\n1.0\n2.993578 0.000000 0.000000\n0.000000 2.425902 0.000000\n0.000000 0.000000 4.479256\nMn F\n1 2\ndirect\n0.466673 0.000000 0.000000 Mn\n-0.033336 0.000000 0.253147 F\n-0.033336 0.000000 0.746855 F\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Mn",
"F"
],
"chemical_system": "F-Mn",
"density": 4.744145402342435,
"density_atomic": 0.0922256106669348,
"volume": 32.52892529857301,
"volume_molar": 6.529792230651056,
"formula_full": "Mn1 F2",
"formula_reduced": "MnF2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.7030526021264367,
"spacegroup": 47
},
{
"id": "jvasp-9464",
"created_at": "2022-09-04T14:38:11.848486Z",
"updated_at": "2022-09-04T14:38:11.848508Z",
"structure_string": "Mn2 F8\n1.0\n-5.343144 -0.129415 -0.036884\n0.101269 -4.462255 0.952351\n2.608482 1.118756 4.679772\nMn F\n2 8\ndirect\n0.500516 -0.000289 0.001249 Mn\n0.000520 0.499717 0.001257 Mn\n0.176582 0.748289 0.853668 F\n0.656861 0.803856 0.314718 F\n0.824447 0.251136 0.148830 F\n0.324094 0.251432 0.148855 F\n0.344171 0.195588 0.687796 F\n-0.156416 0.298014 0.686568 F\n0.676949 0.748020 0.853640 F\n0.157442 0.701412 0.315953 F\n",
"nsites": 10,
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"elements": [
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"F"
],
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"density": 3.7300331538974585,
"density_atomic": 0.08578057086206045,
"volume": 116.57651493227425,
"volume_molar": 7.020401822323974,
"formula_full": "Mn2 F8",
"formula_reduced": "MnF4",
"formula_anonymous": "AB4",
"energy_above_hull": 0.322159674275862,
"spacegroup": 64
},
{
"id": "jvasp-22619",
"created_at": "2022-09-04T14:38:14.634227Z",
"updated_at": "2022-09-04T14:38:14.634262Z",
"structure_string": "Mn2 F4\n1.0\n2.765358 0.000000 0.000000\n0.000000 4.811846 0.000000\n0.000000 -0.000000 4.811846\nMn F\n2 4\ndirect\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.000000 0.710789 0.710789 F\n0.500000 0.789213 0.210788 F\n0.000000 0.289212 0.289212 F\n0.500000 0.210788 0.789213 F\n",
"nsites": 6,
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"elements": [
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"density": 4.820398029986598,
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"volume": 64.02871731270487,
"volume_molar": 6.426499138989294,
"formula_full": "Mn2 F4",
"formula_reduced": "MnF2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.6036726021264367,
"spacegroup": 136
},
{
"id": "jvasp-30290",
"created_at": "2022-09-04T14:37:50.389321Z",
"updated_at": "2022-09-04T14:37:50.389347Z",
"structure_string": "Mn4 F14\n1.0\n5.264387 0.712750 -0.213672\n2.304048 4.786769 0.213672\n-1.154262 1.588495 9.479190\nMn F\n4 14\ndirect\n0.231742 0.326110 0.419470 Mn\n0.326110 0.231741 0.080530 Mn\n0.673891 0.768258 0.919470 Mn\n0.768260 0.673889 0.580530 Mn\n0.940841 0.329932 0.973568 F\n0.535083 0.804817 0.092416 F\n0.645373 0.209487 0.171220 F\n0.790514 0.354627 0.671220 F\n0.670068 0.059160 0.473568 F\n0.329934 0.940839 0.526432 F\n0.354629 0.790512 0.828780 F\n0.797905 0.797903 0.750000 F\n0.464919 0.195182 0.907584 F\n0.059161 0.670067 0.026432 F\n0.202096 0.202096 0.250000 F\n0.195184 0.464917 0.592416 F\n0.209488 0.645372 0.328780 F\n0.804818 0.535082 0.407584 F\n",
"nsites": 18,
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"elements": [
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"density": 3.6766390277297347,
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"volume": 219.3779002534332,
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"formula_full": "Mn4 F14",
"formula_reduced": "Mn2F7",
"formula_anonymous": "A2B7",
"energy_above_hull": 0.7491162733620689,
"spacegroup": 15
}
]
}