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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-elements&page=4072",
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"results": [
{
"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": [
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],
"chemical_system": "Ga-Mn",
"density": 7.316854339943276,
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"volume": 208.10647069377598,
"volume_molar": 8.951760425605242,
"formula_full": "Mn4 Ga10",
"formula_reduced": "Mn2Ga5",
"formula_anonymous": "A2B5",
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},
{
"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,
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"elements": [
"Mn",
"Ga"
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"chemical_system": "Ga-Mn",
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"volume": 87.08875550783326,
"volume_molar": 10.489214885627943,
"formula_full": "Mn1 Ga4",
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"formula_anonymous": "AB4",
"energy_above_hull": 0.4950853082758618,
"spacegroup": 229
},
{
"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-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-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-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-119590",
"created_at": "2022-09-04T14:38:35.880433Z",
"updated_at": "2022-09-04T14:38:35.880465Z",
"structure_string": "Mn4 F12\n1.0\n7.455052 -0.000000 0.000000\n0.000000 5.168489 0.000254\n-0.000000 -0.000106 5.369926\nMn F\n4 12\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 -0.000000 -0.000000 Mn\n-0.000000 0.500000 0.500000 Mn\n0.500000 0.500000 0.500000 Mn\n0.250000 0.095183 0.982979 F\n0.547161 0.298362 0.205290 F\n0.952838 0.298362 0.205290 F\n0.047258 0.798364 0.294703 F\n0.452742 0.798364 0.294703 F\n0.750000 0.595283 0.516854 F\n0.250000 0.404716 0.483146 F\n0.547258 0.201635 0.705297 F\n0.952742 0.201635 0.705297 F\n0.047161 0.701638 0.794710 F\n0.452839 0.701638 0.794710 F\n0.750000 0.904816 0.017021 F\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Mn",
"F"
],
"chemical_system": "F-Mn",
"density": 3.593235201444685,
"density_atomic": 0.0773281121921914,
"volume": 206.91052123752323,
"volume_molar": 7.787776772608339,
"formula_full": "Mn4 F12",
"formula_reduced": "MnF3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.3132545222198275,
"spacegroup": 62
},
{
"id": "jvasp-117431",
"created_at": "2022-09-04T14:38:27.429893Z",
"updated_at": "2022-09-04T14:38:27.429909Z",
"structure_string": "Mn4 F14\n1.0\n5.084632 -0.109924 1.227543\n0.086646 5.552387 1.846779\n-0.116382 -0.214393 8.425604\nMn F\n4 14\ndirect\n0.288961 0.043256 0.172857 Mn\n0.779368 0.791134 0.312105 Mn\n0.220632 0.208867 0.687893 Mn\n0.711040 0.956746 0.827142 Mn\n0.075871 0.888664 0.754261 F\n0.869358 0.257466 0.798248 F\n0.317353 0.494803 0.666138 F\n0.864847 0.732034 0.507755 F\n0.553512 0.102667 0.619145 F\n0.446488 0.897335 0.380854 F\n0.682648 0.505199 0.333861 F\n0.332524 0.096070 0.908598 F\n0.130643 0.742536 0.201751 F\n0.924129 0.111338 0.245737 F\n0.667476 0.903931 0.091401 F\n0.404727 0.325815 0.140003 F\n0.135154 0.267967 0.492244 F\n0.595274 0.674187 0.859995 F\n",
"nsites": 18,
"nelements": 2,
"elements": [
"Mn",
"F"
],
"chemical_system": "F-Mn",
"density": 3.3501436207566875,
"density_atomic": 0.07476391971245659,
"volume": 240.75784240885616,
"volume_molar": 8.05487564477794,
"formula_full": "Mn4 F14",
"formula_reduced": "Mn2F7",
"formula_anonymous": "A2B7",
"energy_above_hull": 0.7184896066954022,
"spacegroup": 2
},
{
"id": "jvasp-87256",
"created_at": "2022-09-04T14:36:04.789647Z",
"updated_at": "2022-09-04T14:36:04.789674Z",
"structure_string": "Mn8 F32\n1.0\n5.538455 -0.000356 1.908685\n2.769717 9.006001 0.954118\n-0.165760 0.000092 9.469126\nMn F\n8 32\ndirect\n0.610545 0.242503 0.500649 Mn\n0.111204 -0.000656 0.242501 Mn\n0.353048 0.500663 0.257488 Mn\n0.353711 0.257487 -0.000667 Mn\n0.389455 0.757496 0.499351 Mn\n0.888795 0.000655 0.757499 Mn\n0.646952 0.499337 0.742512 Mn\n0.646289 0.742512 0.000667 Mn\n0.923007 0.890911 0.336802 F\n0.150736 0.609090 0.163165 F\n0.259833 0.163147 0.890913 F\n0.686082 0.663166 0.390942 F\n0.076993 0.109088 0.663198 F\n0.849264 0.390910 0.836835 F\n0.146452 0.407434 0.362906 F\n0.509387 0.137053 0.407427 F\n0.916813 0.092571 0.137063 F\n0.313919 0.336834 0.609058 F\n0.053893 0.362939 0.092532 F\n0.490613 0.862947 0.592573 F\n0.083187 0.907428 0.862937 F\n0.740167 0.836852 0.109087 F\n0.605886 0.388529 0.352738 F\n0.394115 0.611470 0.647262 F\n0.494428 0.352757 0.111448 F\n0.347149 0.111479 0.147263 F\n0.853548 0.592566 0.637094 F\n0.041367 0.852754 0.611457 F\n0.505572 0.647242 0.888552 F\n0.652851 0.888520 0.852737 F\n0.607835 0.594251 0.144760 F\n0.752607 0.355262 0.594222 F\n0.702085 0.144726 0.905788 F\n0.346831 0.905757 0.355254 F\n0.392165 0.405748 0.855240 F\n0.247393 0.644737 0.405778 F\n0.297915 0.855273 0.094212 F\n0.653169 0.094242 0.644746 F\n0.958633 0.147245 0.388543 F\n0.946107 0.637061 0.907469 F\n",
"nsites": 40,
"nelements": 2,
"elements": [
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"F"
],
"chemical_system": "F-Mn",
"density": 3.6604335608973866,
"density_atomic": 0.08417997039204185,
"volume": 475.1724170691974,
"volume_molar": 7.153887952150334,
"formula_full": "Mn8 F32",
"formula_reduced": "MnF4",
"formula_anonymous": "AB4",
"energy_above_hull": 0.311973674275862,
"spacegroup": 88
},
{
"id": "jvasp-30288",
"created_at": "2022-09-04T14:37:04.219967Z",
"updated_at": "2022-09-04T14:37:04.219988Z",
"structure_string": "Mn2 F8\n1.0\n5.244455 0.000000 -0.078832\n0.000000 4.738090 0.000000\n-2.250974 0.000000 4.651060\nMn F\n2 8\ndirect\n0.000000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.116307 0.316633 0.860082 F\n0.116307 0.183367 0.360082 F\n0.339421 0.643046 0.624382 F\n0.339420 0.856954 0.124382 F\n0.660582 0.143046 0.875619 F\n0.660581 0.356954 0.375619 F\n0.883695 0.816633 0.639919 F\n0.883695 0.683367 0.139919 F\n",
"nsites": 10,
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"elements": [
"Mn",
"F"
],
"chemical_system": "F-Mn",
"density": 3.789999037693229,
"density_atomic": 0.08715962234284269,
"volume": 114.73202534844592,
"volume_molar": 6.909324063282294,
"formula_full": "Mn2 F8",
"formula_reduced": "MnF4",
"formula_anonymous": "AB4",
"energy_above_hull": 0.368979674275862,
"spacegroup": 14
},
{
"id": "jvasp-103540",
"created_at": "2022-09-04T14:36:36.170135Z",
"updated_at": "2022-09-04T14:36:36.170153Z",
"structure_string": "Mn2 F6\n1.0\n4.562791 0.046280 2.839795\n1.600360 4.273178 2.839795\n0.066034 0.046280 5.373930\nMn F\n2 6\ndirect\n0.000000 0.000000 0.000000 Mn\n0.499999 0.500000 0.500001 Mn\n0.848415 0.651585 0.250001 F\n0.151583 0.348416 0.750001 F\n0.249999 0.848416 0.651585 F\n0.651583 0.250000 0.848417 F\n0.750000 0.151584 0.348417 F\n0.348416 0.750000 0.151585 F\n",
"nsites": 8,
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"elements": [
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],
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"density": 3.6021635262617453,
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"volume": 103.1988363437103,
"volume_molar": 7.76847398412534,
"formula_full": "Mn2 F6",
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"formula_anonymous": "AB3",
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"spacegroup": 167
}
]
}