HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nsites&page=3590",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nsites&page=3588",
"results": [
{
"id": "jvasp-47822",
"created_at": "2022-09-04T14:37:05.858759Z",
"updated_at": "2022-09-04T14:37:05.858778Z",
"structure_string": "Li2 Fe2 Si2 O8\n1.0\n2.755052 4.098498 -0.000000\n-2.755052 4.098498 -0.000000\n0.000000 -0.000000 6.150216\nLi Fe Si O\n2 2 2 8\ndirect\n0.169749 0.169749 0.250000 Li\n0.830252 0.830252 0.750001 Li\n0.500000 0.500000 0.000000 Fe\n0.500000 0.500000 0.500000 Fe\n0.151950 0.151950 0.750001 Si\n0.848051 0.848051 0.250000 Si\n0.262367 0.786992 0.750001 O\n0.213008 0.737634 0.250000 O\n0.266033 0.266033 0.532748 O\n0.733967 0.733967 0.032748 O\n0.266033 0.266033 0.967253 O\n0.733967 0.733967 0.467252 O\n0.786992 0.262367 0.750001 O\n0.737634 0.213008 0.250000 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Fe",
"Si",
"O"
],
"chemical_system": "Fe-Li-O-Si",
"density": 3.703130144746835,
"density_atomic": 0.10079828509612246,
"volume": 138.89125183676916,
"volume_molar": 5.974447634954518,
"formula_full": "Li2 Fe2 Si2 O8",
"formula_reduced": "LiFeSiO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.439411157142857,
"spacegroup": 63
},
{
"id": "jvasp-34813",
"created_at": "2022-09-04T14:37:11.890048Z",
"updated_at": "2022-09-04T14:37:11.890064Z",
"structure_string": "Li2 Mn4 O8\n1.0\n4.971963 -0.000000 2.870565\n1.657321 4.687612 2.870565\n-0.000000 -0.000000 5.741129\nLi Mn O\n2 4 8\ndirect\n0.125000 0.125000 0.125000 Li\n0.874999 0.875000 0.874999 Li\n0.500000 0.500000 0.500000 Mn\n0.500000 0.000000 0.500000 Mn\n-0.000000 0.500000 0.500000 Mn\n0.500000 0.500000 -0.000001 Mn\n0.262316 0.262317 0.713049 O\n0.737683 0.737683 0.737683 O\n0.737683 0.737683 0.286950 O\n0.262316 0.713049 0.262316 O\n0.262316 0.262317 0.262316 O\n0.286951 0.737683 0.737683 O\n0.737683 0.286951 0.737683 O\n0.713049 0.262317 0.262316 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Li",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 4.487825412956823,
"density_atomic": 0.10462878567404885,
"volume": 133.80638903345726,
"volume_molar": 5.755720781048571,
"formula_full": "Li2 Mn4 O8",
"formula_reduced": "LiMn2O4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.776309783251232,
"spacegroup": 227
},
{
"id": "jvasp-22400",
"created_at": "2022-09-04T14:37:11.887216Z",
"updated_at": "2022-09-04T14:37:11.887228Z",
"structure_string": "Ba6 Mn2 N6\n1.0\n4.070851 -7.050921 0.000000\n4.070851 7.050920 0.000000\n0.000000 0.000000 5.553331\nBa Mn N\n6 2 6\ndirect\n0.911630 0.637916 0.750000 Ba\n0.273714 0.911630 0.250000 Ba\n0.637916 0.726286 0.250000 Ba\n0.362083 0.273714 0.750000 Ba\n0.726286 0.088370 0.750000 Ba\n0.088370 0.362083 0.250000 Ba\n0.666667 0.333333 0.250000 Mn\n0.333333 0.666667 0.750000 Mn\n0.317151 0.869784 0.750000 N\n0.447367 0.317151 0.250000 N\n0.869784 0.552633 0.250000 N\n0.130215 0.447367 0.750000 N\n0.552633 0.682849 0.750000 N\n0.682849 0.130215 0.250000 N\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ba",
"Mn",
"N"
],
"chemical_system": "Ba-Mn-N",
"density": 5.301885796471696,
"density_atomic": 0.043915057466412416,
"volume": 318.79726015860575,
"volume_molar": 13.713156961267597,
"formula_full": "Ba6 Mn2 N6",
"formula_reduced": "Ba3MnN3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 2.9714321287684724,
"spacegroup": 176
},
{
"id": "jvasp-48368",
"created_at": "2022-09-04T14:37:11.903276Z",
"updated_at": "2022-09-04T14:37:11.903298Z",
"structure_string": "Li1 Co5 O3 F5\n1.0\n-4.253665 4.427895 -0.178339\n4.302409 -0.128030 4.302409\n4.124070 4.299865 0.048744\nLi Co O F\n1 5 3 5\ndirect\n0.623001 0.741835 0.623002 Li\n0.600191 0.216723 0.146649 Co\n0.963254 0.045554 0.963256 Co\n0.624101 0.243275 0.624103 Co\n0.289650 0.487312 0.289651 Co\n0.146648 0.763181 0.600192 Co\n0.399770 0.228055 0.399771 O\n0.847551 0.297290 0.847554 O\n0.390339 0.757312 0.390340 O\n0.873239 0.226280 0.381386 F\n0.875727 0.760539 0.373283 F\n0.373282 0.258092 0.875729 F\n0.861860 0.740113 0.861862 F\n0.381385 0.734427 0.873240 F\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Co",
"O",
"F"
],
"chemical_system": "Co-F-Li-O",
"density": 4.826484414714551,
"density_atomic": 0.09152571533894928,
"volume": 152.9624756075763,
"volume_molar": 6.5797254221920785,
"formula_full": "Li1 Co5 O3 F5",
"formula_reduced": "LiCo5O3F5",
"formula_anonymous": "AB3C5D5",
"energy_above_hull": 1.9784276008928572,
"spacegroup": 8
},
{
"id": "jvasp-58498",
"created_at": "2022-09-04T14:36:59.540012Z",
"updated_at": "2022-09-04T14:36:59.540039Z",
"structure_string": "Y2 Ni4 O8\n1.0\n5.345378 0.044136 3.013870\n1.781053 5.040124 3.013870\n0.061864 0.044136 6.136174\nY Ni O\n2 4 8\ndirect\n0.624904 0.624905 0.624904 Y\n0.375095 0.375096 0.375095 Y\n-0.000000 0.500000 0.000000 Ni\n0.000000 0.000000 0.000000 Ni\n0.500000 0.000000 -0.000000 Ni\n-0.000000 0.000000 0.500000 Ni\n0.198291 0.767124 0.767124 O\n0.232875 0.232877 0.801708 O\n0.232876 0.801708 0.232876 O\n0.232896 0.232896 0.232896 O\n0.767124 0.767124 0.198292 O\n0.801708 0.232877 0.232876 O\n0.767123 0.198293 0.767123 O\n0.767103 0.767104 0.767103 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Y",
"Ni",
"O"
],
"chemical_system": "Ni-O-Y",
"density": 5.492632202094564,
"density_atomic": 0.08566414435129333,
"volume": 163.42893641228127,
"volume_molar": 7.029943280941766,
"formula_full": "Y2 Ni4 O8",
"formula_reduced": "Y(NiO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.131583464285714,
"spacegroup": 227
},
{
"id": "jvasp-13318",
"created_at": "2022-09-04T14:37:11.952925Z",
"updated_at": "2022-09-04T14:37:11.952946Z",
"structure_string": "Ba2 Nd4 Se8\n1.0\n7.956276 -0.012218 -0.000000\n-2.663611 7.497176 -0.000000\n-2.646331 -3.742479 6.503326\nBa Nd Se\n2 4 8\ndirect\n0.625000 0.375000 0.250000 Ba\n0.875001 0.125000 0.750000 Ba\n0.125964 0.750000 0.875964 Nd\n0.250000 0.625964 0.375964 Nd\n0.374037 0.250000 0.624037 Nd\n0.750001 0.874037 0.124036 Nd\n0.015777 0.856027 0.496244 Se\n0.019534 0.359783 0.503757 Se\n0.480467 0.984224 0.340250 Se\n0.143974 0.140217 0.159750 Se\n0.356027 0.515777 0.996244 Se\n0.640218 0.643974 0.659751 Se\n0.484225 0.980467 0.840250 Se\n0.859783 0.519534 0.003756 Se\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ba",
"Nd",
"Se"
],
"chemical_system": "Ba-Nd-Se",
"density": 6.35290876019461,
"density_atomic": 0.03610954149833972,
"volume": 387.70915993612675,
"volume_molar": 16.677422393405056,
"formula_full": "Ba2 Nd4 Se8",
"formula_reduced": "Ba(NdSe2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.1112860623809522,
"spacegroup": 122
},
{
"id": "jvasp-50211",
"created_at": "2022-09-04T14:36:58.270933Z",
"updated_at": "2022-09-04T14:36:58.270968Z",
"structure_string": "Ca4 Ce2 O8\n1.0\n3.523854 0.000000 0.000000\n0.000000 5.831381 -0.000000\n0.000000 -0.000000 9.947251\nCa Ce O\n4 2 8\ndirect\n0.499999 0.060172 0.678564 Ca\n0.499999 0.439828 0.178564 Ca\n0.499999 0.560172 0.821436 Ca\n0.499999 0.939827 0.321436 Ca\n0.000000 0.000000 0.000000 Ce\n0.000000 0.500000 0.500000 Ce\n0.000000 0.155023 0.203731 O\n0.499999 0.241283 0.960800 O\n0.499999 0.258717 0.460800 O\n0.000000 0.344977 0.703731 O\n0.000000 0.655023 0.296269 O\n0.499999 0.741283 0.539199 O\n0.499999 0.758717 0.039200 O\n0.000000 0.844977 0.796269 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ca",
"Ce",
"O"
],
"chemical_system": "Ca-Ce-O",
"density": 4.618671887955162,
"density_atomic": 0.06849133558492737,
"volume": 204.40541683758505,
"volume_molar": 8.792558516445794,
"formula_full": "Ca4 Ce2 O8",
"formula_reduced": "Ca2CeO4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.2977743342857138,
"spacegroup": 55
},
{
"id": "jvasp-10031",
"created_at": "2022-09-04T14:37:12.070274Z",
"updated_at": "2022-09-04T14:37:12.070300Z",
"structure_string": "Ca2 Bi4 O8\n1.0\n6.995636 -0.034419 -0.011898\n3.468010 6.075607 -0.011898\n3.478166 2.008121 5.679823\nCa Bi O\n2 4 8\ndirect\n0.125000 0.625000 0.624999 Ca\n0.625001 0.125000 0.624999 Ca\n-0.001447 -0.001447 0.001447 Bi\n0.251448 0.251448 0.248552 Bi\n0.625000 0.625000 0.125000 Bi\n0.625001 0.625000 0.624999 Bi\n0.383290 0.383290 0.383425 O\n0.380685 0.850067 0.384625 O\n0.383291 0.383290 0.849996 O\n0.850067 0.380685 0.384625 O\n0.399934 0.869316 0.865374 O\n0.869317 0.399934 0.865374 O\n0.866711 0.866711 0.400003 O\n0.866711 0.866711 0.866574 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ca",
"Bi",
"O"
],
"chemical_system": "Bi-Ca-O",
"density": 7.151643160801689,
"density_atomic": 0.057750266564105056,
"volume": 242.42312344064166,
"volume_molar": 10.427901234559997,
"formula_full": "Ca2 Bi4 O8",
"formula_reduced": "Ca(BiO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.5279961457142854,
"spacegroup": 74
},
{
"id": "jvasp-9115",
"created_at": "2022-09-04T14:38:11.824052Z",
"updated_at": "2022-09-04T14:38:11.824079Z",
"structure_string": "Sr2 N12\n1.0\n5.475580 -0.000000 2.833678\n2.737791 5.803781 1.416840\n0.055724 -0.000000 6.599458\nSr N\n2 12\ndirect\n0.624999 0.750000 0.750001 Sr\n0.375000 0.250000 0.250000 Sr\n0.830848 0.382080 0.497980 N\n0.210908 0.117920 0.002021 N\n0.000491 0.250000 0.999018 N\n0.749508 0.250000 0.500984 N\n0.999508 0.750000 0.000983 N\n0.250491 0.750000 0.499018 N\n0.328827 0.882080 0.502021 N\n0.212928 0.617920 -0.002021 N\n0.789092 0.882080 -0.002021 N\n0.169151 0.617920 0.502021 N\n0.671172 0.117920 0.497980 N\n0.787072 0.382080 0.002021 N\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Sr",
"N"
],
"chemical_system": "N-Sr",
"density": 2.73024235817805,
"density_atomic": 0.06704718191450998,
"volume": 208.808179557062,
"volume_molar": 8.981944636657014,
"formula_full": "Sr2 N12",
"formula_reduced": "SrN6",
"formula_anonymous": "AB6",
"energy_above_hull": 4.914025115714285,
"spacegroup": 70
},
{
"id": "jvasp-10050",
"created_at": "2022-09-04T14:38:11.610744Z",
"updated_at": "2022-09-04T14:38:11.610772Z",
"structure_string": "V4 Zn2 O8\n1.0\n6.019715 0.018842 -0.081670\n3.026176 5.203804 -0.081670\n2.948613 1.702383 4.815066\nV Zn O\n4 2 8\ndirect\n0.995772 0.995770 0.004228 V\n0.254229 0.254228 0.245772 V\n0.625000 0.624999 0.125000 V\n0.625000 0.624999 0.625000 V\n0.125000 0.624999 0.625001 Zn\n0.624999 0.124999 0.625001 Zn\n0.387585 0.387584 0.366130 O\n0.388138 0.867546 0.372158 O\n0.387584 0.387583 0.858703 O\n0.867547 0.388137 0.372158 O\n0.382453 0.861860 0.877843 O\n0.861862 0.382452 0.877843 O\n0.862416 0.862414 0.391298 O\n0.862416 0.862414 0.883871 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"V",
"Zn",
"O"
],
"chemical_system": "O-V-Zn",
"density": 5.046049099865489,
"density_atomic": 0.09196960252529256,
"volume": 152.22420903852293,
"volume_molar": 6.547968670783209,
"formula_full": "V4 Zn2 O8",
"formula_reduced": "V2ZnO4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.4348904,
"spacegroup": 74
},
{
"id": "jvasp-85006",
"created_at": "2022-09-04T14:36:58.122719Z",
"updated_at": "2022-09-04T14:36:58.122730Z",
"structure_string": "Na2 Mn4 O8\n1.0\n4.861160 0.000000 -0.993175\n0.000000 5.713556 0.000000\n0.289904 0.000000 5.782512\nNa Mn O\n2 4 8\ndirect\n0.500000 0.500000 0.000000 Na\n0.000000 0.000000 0.000000 Na\n-0.000000 0.000000 0.500000 Mn\n0.500000 0.752060 0.500000 Mn\n0.500000 0.247941 0.500000 Mn\n-0.000000 0.500000 0.500000 Mn\n0.200347 0.752614 0.682419 O\n0.799653 0.247387 0.317581 O\n0.799653 0.752614 0.317581 O\n0.200347 0.247387 0.682419 O\n0.696669 0.500000 0.673742 O\n0.303331 0.500000 0.326258 O\n0.697773 0.000000 0.673975 O\n0.302227 0.000000 0.326026 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Na",
"Mn",
"O"
],
"chemical_system": "Mn-Na-O",
"density": 4.029539763191152,
"density_atomic": 0.08628578926919134,
"volume": 162.25151463033268,
"volume_molar": 6.9792961401933065,
"formula_full": "Na2 Mn4 O8",
"formula_reduced": "NaMn2O4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.566641068965517,
"spacegroup": 10
},
{
"id": "jvasp-58134",
"created_at": "2022-09-04T14:36:57.123588Z",
"updated_at": "2022-09-04T14:36:57.123614Z",
"structure_string": "Zn2 Cu4 O8\n1.0\n5.247204 0.000000 -2.754850\n-1.446331 5.043937 -2.754850\n-0.241686 -0.320728 5.914299\nZn Cu O\n2 4 8\ndirect\n0.374999 0.625000 0.750000 Zn\n0.624999 0.375000 0.250000 Zn\n-0.000000 -0.000000 0.500000 Cu\n0.000000 0.500000 0.000000 Cu\n0.499999 -0.000000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.761001 0.782885 0.522005 O\n0.760877 0.238997 0.977994 O\n0.217114 0.238997 0.977994 O\n0.238997 0.217115 0.477994 O\n0.238997 0.760879 0.477994 O\n0.239121 0.761003 0.022006 O\n0.761001 0.239121 0.522005 O\n0.782884 0.761003 0.022006 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Zn",
"Cu",
"O"
],
"chemical_system": "Cu-O-Zn",
"density": 5.784727859879827,
"density_atomic": 0.09507074038521077,
"volume": 147.25876692738836,
"volume_molar": 6.3343787327197525,
"formula_full": "Zn2 Cu4 O8",
"formula_reduced": "Zn(CuO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.0584679,
"spacegroup": 227
}
]
}