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=-volume_molar&page=4091",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume_molar&page=4089",
"results": [
{
"id": "jvasp-44242",
"created_at": "2022-09-04T14:38:13.592824Z",
"updated_at": "2022-09-04T14:38:13.592851Z",
"structure_string": "V6 O7 F5\n1.0\n4.669883 -0.169206 -0.000000\n-0.169206 4.669883 0.000000\n0.000000 0.000000 8.961434\nV O F\n6 7 5\ndirect\n0.012367 0.987631 0.008798 V\n0.012367 0.987631 0.324535 V\n-0.001519 0.001519 0.666667 V\n0.475740 0.524258 0.166667 V\n0.501806 0.498192 0.834528 V\n0.501806 0.498192 0.498805 V\n0.702706 0.698644 0.666667 O\n0.700332 0.703944 0.336103 O\n0.700332 0.703944 -0.002770 O\n0.296054 0.299667 0.336103 O\n0.296054 0.299667 -0.002770 O\n0.197638 0.802361 0.166667 O\n0.301354 0.297292 0.666667 O\n0.801057 0.198942 0.834867 F\n0.201651 0.798347 0.499664 F\n0.201651 0.798347 0.833668 F\n0.797535 0.202464 0.166667 F\n0.801057 0.198942 0.498467 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"V",
"O",
"F"
],
"chemical_system": "F-O-V",
"density": 4.3615406428717804,
"density_atomic": 0.09222603521250212,
"volume": 195.17265334593856,
"volume_molar": 6.52976217195515,
"formula_full": "V6 O7 F5",
"formula_reduced": "V6O7F5",
"formula_anonymous": "A5B6C7",
"energy_above_hull": 2.8051572840277776,
"spacegroup": 38
},
{
"id": "jvasp-79470",
"created_at": "2022-09-04T14:37:11.364265Z",
"updated_at": "2022-09-04T14:37:11.364288Z",
"structure_string": "La1 H3\n1.0\n2.788620 2.788620 -0.000000\n2.788620 -0.000000 -2.788620\n-0.000000 2.788620 -2.788620\nLa H\n1 3\ndirect\n0.000000 0.000000 0.000000 La\n0.500000 0.500000 0.500000 H\n0.250000 0.250000 0.250000 H\n0.750000 0.750000 0.750000 H\n",
"nsites": 4,
"nelements": 2,
"elements": [
"La",
"H"
],
"chemical_system": "H-La",
"density": 5.434043599353386,
"density_atomic": 0.09222782827305638,
"volume": 43.370857526399845,
"volume_molar": 6.529635222647133,
"formula_full": "La1 H3",
"formula_reduced": "LaH3",
"formula_anonymous": "AB3",
"energy_above_hull": 2.23498125,
"spacegroup": 225
},
{
"id": "jvasp-16924",
"created_at": "2022-09-04T14:37:01.768008Z",
"updated_at": "2022-09-04T14:37:01.768026Z",
"structure_string": "Al1 V1 O3\n1.0\n3.784444 0.000000 0.000000\n0.000000 3.784444 0.000000\n0.000000 -0.000000 3.785257\nAl V O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Al\n0.499999 0.499999 0.500000 V\n0.000000 0.499999 0.500000 O\n0.499999 0.000000 0.500000 O\n0.499999 0.499999 0.000000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Al",
"V",
"O"
],
"chemical_system": "Al-O-V",
"density": 3.856990300665768,
"density_atomic": 0.09222963007207448,
"volume": 54.212512791091775,
"volume_molar": 6.529507659625103,
"formula_full": "Al1 V1 O3",
"formula_reduced": "AlVO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.4583435,
"spacegroup": 221
},
{
"id": "jvasp-42251",
"created_at": "2022-09-04T14:35:56.362640Z",
"updated_at": "2022-09-04T14:35:56.362666Z",
"structure_string": "Fe6 O6 F6\n1.0\n4.632586 -0.034231 0.034912\n0.031463 5.548146 -0.015095\n0.071293 0.566609 7.591899\nFe O F\n6 6 6\ndirect\n0.529677 0.837704 0.664936 Fe\n0.423018 0.511664 0.008232 Fe\n0.526699 0.184975 0.336623 Fe\n0.991538 0.323636 0.677436 Fe\n0.986033 0.655442 0.338125 Fe\n0.025526 -0.000042 0.973869 Fe\n0.200214 0.301932 0.896476 O\n0.314012 0.803118 0.886778 O\n0.289107 0.464160 0.241221 O\n0.706263 0.870380 0.437101 O\n0.799125 0.025969 0.759321 O\n0.804941 0.381372 0.442187 O\n0.789990 0.696850 0.094370 F\n0.702727 0.196377 0.094363 F\n0.703404 0.526091 0.783885 F\n0.291938 0.131382 0.558621 F\n0.192482 0.955294 0.229818 F\n0.223301 0.633709 0.576629 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-O",
"density": 4.637585946715234,
"density_atomic": 0.09223029579750482,
"volume": 195.163637331487,
"volume_molar": 6.529460529132253,
"formula_full": "Fe6 O6 F6",
"formula_reduced": "FeOF",
"formula_anonymous": "ABC",
"energy_above_hull": 1.1102364275,
"spacegroup": 1
},
{
"id": "jvasp-70410",
"created_at": "2022-09-04T14:36:05.776517Z",
"updated_at": "2022-09-04T14:36:05.776534Z",
"structure_string": "Mn1 Be2 Pt1\n1.0\n2.746222 0.000000 0.000000\n0.000000 2.746222 0.000000\n0.000000 0.000000 5.750572\nMn Be Pt\n1 2 1\ndirect\n0.000000 0.000000 0.456468 Mn\n0.000000 0.000000 0.026500 Be\n0.500000 0.500000 0.227489 Be\n0.500000 0.500000 0.789543 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mn",
"Be",
"Pt"
],
"chemical_system": "Be-Mn-Pt",
"density": 10.263057486556502,
"density_atomic": 0.09223115812511964,
"volume": 43.36929169395932,
"volume_molar": 6.529399481063047,
"formula_full": "Mn1 Be2 Pt1",
"formula_reduced": "MnBe2Pt",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.568735210344827,
"spacegroup": 99
},
{
"id": "jvasp-43752",
"created_at": "2022-09-04T14:35:58.334909Z",
"updated_at": "2022-09-04T14:35:58.334926Z",
"structure_string": "V6 O7 F5\n1.0\n0.000000 4.657272 -0.006275\n9.020973 0.000000 0.000000\n0.000000 -0.213382 -4.644878\nV O F\n6 7 5\ndirect\n0.995844 0.825103 0.014609 V\n0.995844 0.174896 0.014609 V\n0.946076 0.500000 0.998706 V\n0.498315 0.000000 0.503718 V\n0.531150 0.680065 0.491271 V\n0.531150 0.319934 0.491271 V\n0.300042 0.164971 0.301639 O\n0.300042 0.835029 0.301639 O\n0.684261 0.500000 0.684401 O\n0.708901 0.836158 0.704661 O\n0.800105 0.665587 0.196742 O\n0.800105 0.334413 0.196742 O\n0.708901 0.163842 0.704661 O\n0.199241 0.664005 0.797446 F\n0.800659 0.000000 0.203455 F\n0.298863 0.500000 0.287956 F\n0.201258 0.000000 0.809021 F\n0.199241 0.335995 0.797446 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"V",
"O",
"F"
],
"chemical_system": "F-O-V",
"density": 4.361869944288967,
"density_atomic": 0.09223299838597308,
"volume": 195.1579186949371,
"volume_molar": 6.529269204497482,
"formula_full": "V6 O7 F5",
"formula_reduced": "V6O7F5",
"formula_anonymous": "A5B6C7",
"energy_above_hull": 2.8029850618055554,
"spacegroup": 6
},
{
"id": "jvasp-108706",
"created_at": "2022-09-04T14:38:20.193640Z",
"updated_at": "2022-09-04T14:38:20.193658Z",
"structure_string": "Fe2 Co1 Si1\n1.0\n3.415184 0.000000 1.971758\n1.138395 3.219867 1.971758\n0.000000 0.000000 3.943515\nFe Co Si\n2 1 1\ndirect\n0.249999 0.250000 0.250001 Fe\n0.749998 0.750001 0.750003 Fe\n0.000000 0.000000 0.000000 Co\n0.499998 0.500001 0.500002 Si\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Fe",
"Co",
"Si"
],
"chemical_system": "Co-Fe-Si",
"density": 7.609049884506259,
"density_atomic": 0.09224109588197699,
"volume": 43.36461922696607,
"volume_molar": 6.528696024714802,
"formula_full": "Fe2 Co1 Si1",
"formula_reduced": "Fe2CoSi",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.269975125,
"spacegroup": 225
},
{
"id": "jvasp-30623",
"created_at": "2022-09-04T14:37:08.687900Z",
"updated_at": "2022-09-04T14:37:08.687926Z",
"structure_string": "Fe1 O2\n1.0\n4.995667 -0.448578 -0.265684\n4.452557 2.309253 -0.265684\n4.452557 0.876860 2.152755\nFe O\n1 2\ndirect\n0.000000 0.000000 0.000000 Fe\n0.598875 0.598872 0.598874 O\n0.401128 0.401126 0.401128 O\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Fe",
"O"
],
"chemical_system": "Fe-O",
"density": 4.485012621450849,
"density_atomic": 0.09224115074514357,
"volume": 32.52344507592722,
"volume_molar": 6.5286921415787535,
"formula_full": "Fe1 O2",
"formula_reduced": "FeO2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.0225908333333336,
"spacegroup": 166
},
{
"id": "jvasp-10921",
"created_at": "2022-09-04T14:37:19.516496Z",
"updated_at": "2022-09-04T14:37:19.516515Z",
"structure_string": "Ca1 Fe2 Si4 O12\n1.0\n5.122383 -0.047558 1.166955\n1.399816 6.248190 0.531749\n-0.000060 0.069600 6.424739\nCa Fe Si O\n1 2 4 12\ndirect\n0.250000 0.699450 0.300550 Ca\n0.750000 0.917408 0.082592 Fe\n0.250000 0.090362 0.909638 Fe\n0.265655 0.201625 0.391783 Si\n0.777062 0.384048 0.197580 Si\n0.722938 0.802420 0.615952 Si\n0.234345 0.608218 0.798375 Si\n0.004321 0.640391 0.654357 O\n0.003883 0.378355 0.339062 O\n0.812839 0.897404 0.373549 O\n0.687162 0.626451 0.102596 O\n0.874383 0.183445 0.034715 O\n0.138125 0.805646 0.968726 O\n0.495680 0.345643 0.359609 O\n0.361876 0.031274 0.194354 O\n0.293553 0.376074 0.913233 O\n0.625618 0.965285 0.816555 O\n0.206447 0.086767 0.623926 O\n0.496118 0.660937 0.621646 O\n",
"nsites": 19,
"nelements": 4,
"elements": [
"Ca",
"Fe",
"Si",
"O"
],
"chemical_system": "Ca-Fe-O-Si",
"density": 3.6769414128291107,
"density_atomic": 0.09224194994585969,
"volume": 205.98003415096736,
"volume_molar": 6.528635575824907,
"formula_full": "Ca1 Fe2 Si4 O12",
"formula_reduced": "CaFe2(SiO3)4",
"formula_anonymous": "AB2C4D12",
"energy_above_hull": 3.0472998852631576,
"spacegroup": 5
},
{
"id": "jvasp-46722",
"created_at": "2022-09-04T14:38:31.122041Z",
"updated_at": "2022-09-04T14:38:31.122058Z",
"structure_string": "Li2 V4 P4 O16\n1.0\n0.000000 4.749440 0.013420\n10.156274 0.000000 0.000000\n0.000000 -0.110817 -5.843633\nLi V P O\n2 4 4 16\ndirect\n0.750008 0.748309 0.250016 Li\n0.249992 0.248309 0.749984 Li\n0.275660 0.975635 0.002708 V\n0.224335 0.520994 0.497290 V\n0.724340 0.475635 0.997292 V\n0.775664 0.020994 0.502709 V\n0.837737 0.156737 0.003931 P\n0.662273 0.339892 0.496078 P\n0.337727 0.839892 0.503922 P\n0.162263 0.656736 -0.003931 P\n0.526146 0.420036 0.292071 O\n0.518093 0.144542 0.989743 O\n0.559734 0.197225 0.502086 O\n0.940261 0.299404 0.997947 O\n0.981915 0.352082 0.510274 O\n0.512334 0.411683 0.705080 O\n0.012323 0.584957 0.205083 O\n0.018084 0.852081 0.489725 O\n0.481907 0.644542 0.010257 O\n0.440265 0.697225 0.497913 O\n0.059738 0.799403 0.002052 O\n0.973874 0.076583 0.207927 O\n0.487665 0.911682 0.294920 O\n0.473854 0.920036 0.707929 O\n0.026125 0.576583 0.792073 O\n0.987676 0.084957 0.794917 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Li",
"V",
"P",
"O"
],
"chemical_system": "Li-O-P-V",
"density": 3.520260823809056,
"density_atomic": 0.09224373347643336,
"volume": 281.8619652536347,
"volume_molar": 6.528509344798527,
"formula_full": "Li2 V4 P4 O16",
"formula_reduced": "LiV2(PO4)2",
"formula_anonymous": "AB2C2D8",
"energy_above_hull": 3.0942667230769234,
"spacegroup": 14
},
{
"id": "jvasp-113528",
"created_at": "2022-09-04T14:38:46.044526Z",
"updated_at": "2022-09-04T14:38:46.044550Z",
"structure_string": "Ru1 C1 O2\n1.0\n3.414238 0.000000 -0.000000\n0.000000 3.414238 0.000000\n0.000000 0.000000 3.719872\nRu C O\n1 1 2\ndirect\n0.499999 0.499999 0.724755 Ru\n0.000000 0.000000 0.870593 C\n0.000000 0.000000 0.186373 O\n0.499999 0.499999 0.228277 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ru",
"C",
"O"
],
"chemical_system": "C-O-Ru",
"density": 5.555710000153092,
"density_atomic": 0.09224533487976914,
"volume": 43.36262647009224,
"volume_molar": 6.528396008154934,
"formula_full": "Ru1 C1 O2",
"formula_reduced": "RuCO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.808596875000001,
"spacegroup": 99
},
{
"id": "jvasp-10223",
"created_at": "2022-09-04T14:37:35.529575Z",
"updated_at": "2022-09-04T14:37:35.529594Z",
"structure_string": "Pr2 Al2 O6\n1.0\n4.642591 -0.015607 2.662708\n1.572472 4.368257 2.662673\n0.015407 0.010833 5.352015\nPr Al O\n2 2 6\ndirect\n0.250000 0.250000 0.250000 Pr\n0.750000 0.749999 0.749999 Pr\n0.000000 -0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Al\n0.750000 0.750000 0.250000 O\n0.750001 0.249999 0.750000 O\n0.250000 0.750000 0.749999 O\n0.750000 0.249999 0.250000 O\n0.250000 0.750000 0.250000 O\n0.250001 0.249999 0.749999 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Pr",
"Al",
"O"
],
"chemical_system": "Al-O-Pr",
"density": 6.614075934577125,
"density_atomic": 0.09224924287475658,
"volume": 108.40197370049566,
"volume_molar": 6.528119442862029,
"formula_full": "Pr2 Al2 O6",
"formula_reduced": "PrAlO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.5532966300000002,
"spacegroup": 221
}
]
}