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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-elements&page=4074",
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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",
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"chemical_system": "F-Mn",
"density": 3.500573272326752,
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"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-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": [
"Mn",
"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,
"nelements": 2,
"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,
"nelements": 2,
"elements": [
"Mn",
"F"
],
"chemical_system": "F-Mn",
"density": 3.6021635262617453,
"density_atomic": 0.07752025394313063,
"volume": 103.1988363437103,
"volume_molar": 7.76847398412534,
"formula_full": "Mn2 F6",
"formula_reduced": "MnF3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.3159370222198275,
"spacegroup": 167
},
{
"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,
"nelements": 2,
"elements": [
"Mn",
"F"
],
"chemical_system": "F-Mn",
"density": 3.533010674520797,
"density_atomic": 0.06868129859375688,
"volume": 43.68001277530736,
"volume_molar": 8.768239511049973,
"formula_full": "Mn1 F2",
"formula_reduced": "MnF2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.4507126021264367,
"spacegroup": 123
},
{
"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,
"nelements": 2,
"elements": [
"Mn",
"F"
],
"chemical_system": "F-Mn",
"density": 3.747943849630519,
"density_atomic": 0.08065751509328915,
"volume": 99.1848061615478,
"volume_molar": 7.466310799476952,
"formula_full": "Mn2 F6",
"formula_reduced": "MnF3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.4370520222198275,
"spacegroup": 162
},
{
"id": "jvasp-38188",
"created_at": "2022-09-04T14:38:00.455109Z",
"updated_at": "2022-09-04T14:38:00.455137Z",
"structure_string": "Mn2 Cu6\n1.0\n2.611045 -4.522464 -0.000000\n2.611045 4.522464 0.000000\n-0.000000 -0.000000 4.265867\nMn Cu\n2 6\ndirect\n0.666668 0.333334 0.250000 Mn\n0.333334 0.666668 0.750001 Mn\n0.331164 0.165582 0.750001 Cu\n0.834419 0.668838 0.750001 Cu\n0.668838 0.834419 0.250000 Cu\n0.165583 0.834419 0.250000 Cu\n0.165582 0.331164 0.250000 Cu\n0.834419 0.165583 0.750001 Cu\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Mn",
"Cu"
],
"chemical_system": "Cu-Mn",
"density": 8.095399992667158,
"density_atomic": 0.07940780751834668,
"volume": 100.74576102799021,
"volume_molar": 7.583814423548492,
"formula_full": "Mn2 Cu6",
"formula_reduced": "MnCu3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.7741696478448274,
"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": [
"Mn",
"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-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"
],
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"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-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,
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"elements": [
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"Co"
],
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"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-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
}
]
}