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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=elements&page=574",
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"results": [
{
"id": "jvasp-30273",
"created_at": "2022-09-04T14:38:28.904967Z",
"updated_at": "2022-09-04T14:38:28.904981Z",
"structure_string": "Mn6 F16\n1.0\n6.387784 0.026243 0.000144\n3.216433 5.518968 -0.000144\n-0.000178 0.000307 8.545942\nMn F\n6 16\ndirect\n0.167949 0.167926 0.752478 Mn\n0.167973 0.666538 0.751542 Mn\n0.333462 0.832026 0.251542 Mn\n0.666559 0.167954 0.751534 Mn\n0.832046 0.333440 0.251534 Mn\n0.832074 0.832051 0.252478 Mn\n0.865472 0.293927 0.647593 F\n0.531628 0.955007 0.358038 F\n0.662661 0.662634 0.119175 F\n0.521194 0.521197 0.358594 F\n0.293974 0.865439 0.647594 F\n0.706073 0.134527 0.147593 F\n0.478802 0.478805 0.858594 F\n0.134561 0.706025 0.147594 F\n0.468384 0.045004 0.858035 F\n0.954996 0.531615 0.358035 F\n0.044992 0.468372 0.858038 F\n0.145829 0.145774 0.147192 F\n0.997933 0.997924 0.880792 F\n0.002076 0.002065 0.380792 F\n0.337365 0.337338 0.619175 F\n0.854225 0.854171 0.647192 F\n",
"nsites": 22,
"nelements": 2,
"elements": [
"Mn",
"F"
],
"chemical_system": "F-Mn",
"density": 3.500573272326752,
"density_atomic": 0.07319741130342766,
"volume": 300.55707720048554,
"volume_molar": 8.227259205979594,
"formula_full": "Mn6 F16",
"formula_reduced": "Mn3F8",
"formula_anonymous": "A3B8",
"energy_above_hull": 1.0513339985579933,
"spacegroup": 36
},
{
"id": "jvasp-78399",
"created_at": "2022-09-04T14:37:13.589407Z",
"updated_at": "2022-09-04T14:37:13.589431Z",
"structure_string": "Mn1 Fe1\n1.0\n2.452576 -0.000000 -0.000000\n0.000000 2.452576 0.000000\n0.000000 -0.000000 3.472496\nMn Fe\n1 1\ndirect\n0.500001 0.500001 0.500001 Mn\n0.000000 0.000000 0.000000 Fe\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Mn",
"Fe"
],
"chemical_system": "Fe-Mn",
"density": 8.807156084466488,
"density_atomic": 0.09575099448525977,
"volume": 20.88751151621602,
"volume_molar": 6.289376723838694,
"formula_full": "Mn1 Fe1",
"formula_reduced": "MnFe",
"formula_anonymous": "AB",
"energy_above_hull": 2.576261370689655,
"spacegroup": 123
},
{
"id": "jvasp-37184",
"created_at": "2022-09-04T14:38:09.318045Z",
"updated_at": "2022-09-04T14:38:09.318077Z",
"structure_string": "Mn1 Fe3\n1.0\n2.803608 0.000000 0.000000\n-0.000000 2.803608 0.000000\n-0.000000 0.000000 5.681973\nMn Fe\n1 3\ndirect\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.748075 Fe\n0.000000 0.000000 0.251924 Fe\n0.500000 0.500000 0.000000 Fe\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mn",
"Fe"
],
"chemical_system": "Fe-Mn",
"density": 8.271661427359541,
"density_atomic": 0.08956250758708502,
"volume": 44.66154541408578,
"volume_molar": 6.723952826068926,
"formula_full": "Mn1 Fe3",
"formula_reduced": "MnFe3",
"formula_anonymous": "AB3",
"energy_above_hull": 3.644658435344828,
"spacegroup": 123
},
{
"id": "jvasp-37187",
"created_at": "2022-09-04T14:38:04.634987Z",
"updated_at": "2022-09-04T14:38:04.635006Z",
"structure_string": "Mn3 Fe1\n1.0\n2.462070 0.000000 0.000000\n-0.000000 3.484851 0.000000\n0.000000 0.000000 4.933823\nMn Fe\n3 1\ndirect\n0.000000 0.000000 0.500000 Mn\n0.500000 0.500000 0.752575 Mn\n0.500000 0.500000 0.247424 Mn\n0.000000 0.000000 0.000000 Fe\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mn",
"Fe"
],
"chemical_system": "Fe-Mn",
"density": 8.655712708963161,
"density_atomic": 0.09449129822703362,
"volume": 42.33194034850941,
"volume_molar": 6.373222585566179,
"formula_full": "Mn3 Fe1",
"formula_reduced": "Mn3Fe",
"formula_anonymous": "AB3",
"energy_above_hull": 4.045651806034482,
"spacegroup": 47
},
{
"id": "jvasp-36318",
"created_at": "2022-09-04T14:38:19.252222Z",
"updated_at": "2022-09-04T14:38:19.252240Z",
"structure_string": "Mn1 Fe1\n1.0\n2.452559 0.000000 -0.000000\n0.000000 2.452559 0.000000\n-0.000000 0.000000 3.472448\nMn Fe\n1 1\ndirect\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Fe\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Mn",
"Fe"
],
"chemical_system": "Fe-Mn",
"density": 8.807399923018641,
"density_atomic": 0.09575364548674521,
"volume": 20.88693323197655,
"volume_molar": 6.289202598384225,
"formula_full": "Mn1 Fe1",
"formula_reduced": "MnFe",
"formula_anonymous": "AB",
"energy_above_hull": 2.5763163706896552,
"spacegroup": 123
},
{
"id": "jvasp-101151",
"created_at": "2022-09-04T14:36:40.040876Z",
"updated_at": "2022-09-04T14:36:40.040902Z",
"structure_string": "Mn1 Fe4\n1.0\n10.064481 0.003193 1.621962\n9.803933 2.277686 0.807846\n-0.000555 0.004847 2.429808\nMn Fe\n1 4\ndirect\n0.000000 0.000000 0.000000 Mn\n0.400775 0.400777 0.599225 Fe\n0.800411 0.800412 0.199589 Fe\n0.199586 0.199589 0.800414 Fe\n0.599223 0.599224 0.400778 Fe\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Mn",
"Fe"
],
"chemical_system": "Fe-Mn",
"density": 8.302650583358485,
"density_atomic": 0.08982480908012946,
"volume": 55.66390901582302,
"volume_molar": 6.704317906902386,
"formula_full": "Mn1 Fe4",
"formula_reduced": "MnFe4",
"formula_anonymous": "AB4",
"energy_above_hull": 3.8349858482758616,
"spacegroup": 69
},
{
"id": "jvasp-54349",
"created_at": "2022-09-04T14:36:51.807149Z",
"updated_at": "2022-09-04T14:36:51.807174Z",
"structure_string": "Mn4 Ga10\n1.0\n2.690660 0.005665 0.001373\n-0.018903 8.794417 0.005938\n-0.004512 -0.006095 8.794627\nMn Ga\n4 10\ndirect\n0.499942 0.678065 0.821929 Mn\n0.499815 0.321940 0.178056 Mn\n0.500020 0.821936 0.321943 Mn\n0.500231 0.178052 0.678070 Mn\n0.999869 0.294708 0.435045 Ga\n0.000066 0.794749 0.064954 Ga\n0.999742 0.564945 0.294716 Ga\n0.000201 -0.000001 0.500004 Ga\n0.000117 0.205274 0.935058 Ga\n0.000063 0.935039 0.794715 Ga\n0.999931 0.064963 0.205299 Ga\n0.999825 0.500014 -0.000006 Ga\n0.000313 0.435040 0.705272 Ga\n0.999878 0.705279 0.564949 Ga\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Mn",
"Ga"
],
"chemical_system": "Ga-Mn",
"density": 7.316854339943276,
"density_atomic": 0.06727325658509047,
"volume": 208.10647069377598,
"volume_molar": 8.951760425605242,
"formula_full": "Mn4 Ga10",
"formula_reduced": "Mn2Ga5",
"formula_anonymous": "A2B5",
"energy_above_hull": 1.0124923011083742,
"spacegroup": 127
},
{
"id": "jvasp-100822",
"created_at": "2022-09-04T14:36:40.742943Z",
"updated_at": "2022-09-04T14:36:40.742963Z",
"structure_string": "Mn3 Ga1\n1.0\n2.599086 0.000000 0.000000\n-1.299543 2.250874 0.000000\n0.000000 0.000000 8.030137\nMn Ga\n3 1\ndirect\n0.333334 0.666666 0.500000 Mn\n0.000000 0.000000 0.262390 Mn\n0.000000 0.000000 0.737610 Mn\n0.333334 0.666666 -0.000000 Ga\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mn",
"Ga"
],
"chemical_system": "Ga-Mn",
"density": 8.290217483929384,
"density_atomic": 0.08514618657124595,
"volume": 46.97802874181577,
"volume_molar": 7.072707542763506,
"formula_full": "Mn3 Ga1",
"formula_reduced": "Mn3Ga",
"formula_anonymous": "AB3",
"energy_above_hull": 3.080868512284482,
"spacegroup": 187
},
{
"id": "jvasp-109716",
"created_at": "2022-09-04T14:38:13.391222Z",
"updated_at": "2022-09-04T14:38:13.391256Z",
"structure_string": "Mn4 Ga1\n1.0\n2.551373 -0.000000 0.000000\n-1.275687 2.186759 0.316563\n-0.000000 0.007715 10.228230\nMn Ga\n4 1\ndirect\n0.595672 0.191346 0.212981 Mn\n0.200699 0.401399 0.397902 Mn\n0.799300 0.598603 0.602098 Mn\n0.404326 0.808656 0.787019 Mn\n0.000000 0.000000 0.000000 Ga\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Mn",
"Ga"
],
"chemical_system": "Ga-Mn",
"density": 8.424274145580972,
"density_atomic": 0.08762783172472559,
"volume": 57.05949698386946,
"volume_molar": 6.8724064506331475,
"formula_full": "Mn4 Ga1",
"formula_reduced": "Mn4Ga",
"formula_anonymous": "AB4",
"energy_above_hull": 3.537078258103448,
"spacegroup": 166
},
{
"id": "jvasp-109711",
"created_at": "2022-09-04T14:38:05.734042Z",
"updated_at": "2022-09-04T14:38:05.734070Z",
"structure_string": "Mn1 Ga1\n1.0\n2.733760 0.000000 0.000000\n-1.366880 2.367506 0.000000\n-0.000000 -0.000000 4.062597\nMn Ga\n1 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.333334 0.666668 0.500000 Ga\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Mn",
"Ga"
],
"chemical_system": "Ga-Mn",
"density": 7.87271707185085,
"density_atomic": 0.07606323272314129,
"volume": 26.29391268814065,
"volume_molar": 7.9172821669566495,
"formula_full": "Mn1 Ga1",
"formula_reduced": "MnGa",
"formula_anonymous": "AB",
"energy_above_hull": 1.2729397831896547,
"spacegroup": 187
},
{
"id": "jvasp-92649",
"created_at": "2022-09-04T14:35:53.884982Z",
"updated_at": "2022-09-04T14:35:53.885002Z",
"structure_string": "Mn1 Ga4\n1.0\n-2.792334 -2.792334 2.792334\n-2.792334 2.792334 -2.792334\n2.792334 -2.792334 -2.792334\nMn Ga\n1 4\ndirect\n0.000000 0.000000 0.000000 Mn\n0.499999 0.000000 0.000000 Ga\n0.000000 0.499999 0.000000 Ga\n0.000000 0.000000 0.499999 Ga\n0.499999 0.499999 0.499999 Ga\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Mn",
"Ga"
],
"chemical_system": "Ga-Mn",
"density": 6.365205566377345,
"density_atomic": 0.057412693186897956,
"volume": 87.08875550783326,
"volume_molar": 10.489214885627943,
"formula_full": "Mn1 Ga4",
"formula_reduced": "MnGa4",
"formula_anonymous": "AB4",
"energy_above_hull": 0.4950853082758618,
"spacegroup": 229
},
{
"id": "jvasp-104720",
"created_at": "2022-09-04T14:37:13.974959Z",
"updated_at": "2022-09-04T14:37:13.974981Z",
"structure_string": "Mn3 Ga1\n1.0\n2.541756 -0.000000 0.400509\n-1.302433 2.219144 0.000000\n0.005361 0.003146 8.231631\nMn Ga\n3 1\ndirect\n0.490629 0.245314 0.264057 Mn\n0.000000 0.500000 0.500000 Mn\n0.509373 0.754686 0.735943 Mn\n0.000000 0.000000 0.000000 Ga\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mn",
"Ga"
],
"chemical_system": "Ga-Mn",
"density": 8.389100539194759,
"density_atomic": 0.08616178297612696,
"volume": 46.424294644741614,
"volume_molar": 6.989340925858705,
"formula_full": "Mn3 Ga1",
"formula_reduced": "Mn3Ga",
"formula_anonymous": "AB3",
"energy_above_hull": 3.094616012284482,
"spacegroup": 166
}
]
}