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=elements&page=4167",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=elements&page=4165",
"results": [
{
"id": "jvasp-42750",
"created_at": "2022-09-04T14:36:15.980250Z",
"updated_at": "2022-09-04T14:36:15.980280Z",
"structure_string": "Li6 Co6 O5 F11\n1.0\n5.812853 -0.014035 -0.011047\n-2.893951 5.106156 0.021931\n-2.892235 -1.594914 9.801285\nLi Co O F\n6 6 5 11\ndirect\n0.254975 0.628085 0.881984 Li\n0.636535 0.829549 0.443387 Li\n-0.002436 0.501105 0.494116 Li\n0.238170 0.103717 0.372428 Li\n0.627070 0.062693 0.191287 Li\n-0.007509 -0.002551 0.987558 Li\n0.604513 0.521423 0.687746 Co\n0.617697 0.305461 0.929988 Co\n0.596512 0.570450 0.184709 Co\n0.606067 0.081199 0.689285 Co\n0.164300 0.081212 0.689292 Co\n0.158764 0.570451 0.184719 Co\n0.374860 0.187133 0.562752 O\n0.383474 0.692466 0.074420 O\n0.843045 0.417751 0.818571 O\n0.397648 0.974381 0.821007 O\n0.393187 0.417762 0.818583 O\n0.396790 0.199840 0.061184 F\n0.860313 0.927612 0.793125 F\n0.397095 0.700848 0.570979 F\n0.874635 0.700836 0.570998 F\n0.850682 0.924437 0.310976 F\n0.384953 0.924455 0.310990 F\n0.385697 0.446205 0.324992 F\n0.857832 0.660570 0.055045 F\n0.868230 0.446858 0.289462 F\n0.872646 0.176198 0.569231 F\n0.864257 0.199859 0.061176 F\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Co",
"O",
"F"
],
"chemical_system": "Co-F-Li-O",
"density": 3.9110276259009633,
"density_atomic": 0.09638315311081413,
"volume": 290.50720064955436,
"volume_molar": 6.248125907518499,
"formula_full": "Li6 Co6 O5 F11",
"formula_reduced": "Li6Co6O5F11",
"formula_anonymous": "A5B6C6D11",
"energy_above_hull": 1.4986123574107146,
"spacegroup": 8
},
{
"id": "jvasp-42751",
"created_at": "2022-09-04T14:36:22.517441Z",
"updated_at": "2022-09-04T14:36:22.517465Z",
"structure_string": "Li2 Co4 O4 F6\n1.0\n3.640392 0.000000 0.000000\n-1.820196 4.789608 0.000000\n-0.000000 0.000000 10.264304\nLi Co O F\n2 4 4 6\ndirect\n0.170087 0.340174 0.250000 Li\n0.829912 0.659826 0.750000 Li\n0.151978 0.303957 0.556704 Co\n0.151978 0.303957 0.943295 Co\n0.848021 0.696044 0.056705 Co\n0.848021 0.696044 0.443295 Co\n0.316548 0.633098 0.458685 O\n0.316548 0.633098 0.041315 O\n0.683451 0.366903 0.958685 O\n0.683451 0.366903 0.541314 O\n0.035272 0.070544 0.119781 F\n0.035272 0.070544 0.380219 F\n0.241208 0.482418 0.750000 F\n0.758791 0.517583 0.250000 F\n0.964727 0.929456 0.619781 F\n0.964727 0.929456 0.880218 F\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Li",
"Co",
"O",
"F"
],
"chemical_system": "Co-F-Li-O",
"density": 3.9674549951384925,
"density_atomic": 0.08940099547578784,
"volume": 178.96892439338916,
"volume_molar": 6.73610033976742,
"formula_full": "Li2 Co4 O4 F6",
"formula_reduced": "LiCo2O2F3",
"formula_anonymous": "AB2C2D3",
"energy_above_hull": 1.4720499559375,
"spacegroup": 63
},
{
"id": "jvasp-107794",
"created_at": "2022-09-04T14:36:12.576758Z",
"updated_at": "2022-09-04T14:36:12.576773Z",
"structure_string": "Li3 Co2 O2 F3\n1.0\n2.905285 0.028217 -10.237396\n-0.029118 2.905276 -10.237396\n-0.027666 -0.028217 10.641626\nLi Co O F\n3 2 2 3\ndirect\n0.596021 0.596024 -0.000000 Li\n0.403976 0.403978 -0.000000 Li\n0.000000 0.000000 0.000000 Li\n0.204590 0.204591 -0.000000 Co\n0.795407 0.795411 -0.000000 Co\n0.695034 0.695037 -0.000000 O\n0.304964 0.304966 -0.000000 O\n0.094719 0.094719 -0.000000 F\n0.905279 0.905283 -0.000001 F\n0.499999 0.500001 -0.000000 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Li",
"Co",
"O",
"F"
],
"chemical_system": "Co-F-Li-O",
"density": 4.288120091485743,
"density_atomic": 0.11341917259230579,
"volume": 88.16851482373085,
"volume_molar": 5.309632068686538,
"formula_full": "Li3 Co2 O2 F3",
"formula_reduced": "Li3Co2O2F3",
"formula_anonymous": "A2B2C3D3",
"energy_above_hull": 1.3453409647500003,
"spacegroup": 139
},
{
"id": "jvasp-42645",
"created_at": "2022-09-04T14:36:10.799926Z",
"updated_at": "2022-09-04T14:36:10.799955Z",
"structure_string": "Li2 Co6 O2 F10\n1.0\n5.958807 -0.011053 -0.039958\n-0.247698 6.057440 -0.016483\n-0.189469 -0.268933 6.103568\nLi Co O F\n2 6 2 10\ndirect\n0.506637 0.499502 0.494190 Li\n0.995228 0.988763 0.986642 Li\n0.277347 0.100152 0.561497 Co\n0.928955 0.455041 0.756030 Co\n0.409743 0.727529 0.910160 Co\n0.562535 0.239062 0.103037 Co\n0.067621 0.577849 0.235722 Co\n0.750356 0.948974 0.426944 Co\n0.541295 0.169444 0.401756 O\n0.091017 0.668937 0.940179 O\n0.080573 0.934958 0.323017 F\n0.314563 0.087772 0.904843 F\n0.928030 0.102882 0.694735 F\n0.591937 0.440545 0.816628 F\n0.181147 0.419356 0.528770 F\n0.817359 0.616632 0.461550 F\n0.452168 0.800365 0.599008 F\n0.907563 0.289355 0.097727 F\n0.417697 0.540187 0.197677 F\n0.678227 0.892707 0.059892 F\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"Co",
"O",
"F"
],
"chemical_system": "Co-F-Li-O",
"density": 4.444827647930938,
"density_atomic": 0.09081938054982389,
"volume": 220.21731351743716,
"volume_molar": 6.630898298955287,
"formula_full": "Li2 Co6 O2 F10",
"formula_reduced": "LiCo3OF5",
"formula_anonymous": "ABC3D5",
"energy_above_hull": 1.28770976125,
"spacegroup": 1
},
{
"id": "jvasp-48502",
"created_at": "2022-09-04T14:36:15.802443Z",
"updated_at": "2022-09-04T14:36:15.802464Z",
"structure_string": "Li2 Co4 O2 F6\n1.0\n-0.000000 5.844617 -0.000000\n-5.061556 2.922308 -0.000194\n-0.000079 -0.000000 5.194767\nLi Co O F\n2 4 2 6\ndirect\n0.666676 0.666650 0.028029 Li\n0.333325 0.333351 0.971973 Li\n0.500000 0.500001 0.500001 Co\n-0.000000 0.500001 0.500001 Co\n0.500000 0.000000 0.500000 Co\n0.000000 0.000000 0.000000 Co\n0.666663 0.666675 0.672819 O\n0.333337 0.333326 0.327182 O\n0.828215 0.828195 0.217979 F\n0.343593 0.828195 0.217979 F\n0.171789 0.656423 0.782004 F\n0.828212 0.343578 0.217998 F\n0.656408 0.171806 0.782022 F\n0.171786 0.171806 0.782022 F\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Co",
"O",
"F"
],
"chemical_system": "Co-F-Li-O",
"density": 4.274679853698009,
"density_atomic": 0.09110073048149928,
"volume": 153.67604547191988,
"volume_molar": 6.610419837657587,
"formula_full": "Li2 Co4 O2 F6",
"formula_reduced": "LiCo2OF3",
"formula_anonymous": "ABC2D3",
"energy_above_hull": 1.246669449642857,
"spacegroup": 164
},
{
"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-42357",
"created_at": "2022-09-04T14:37:10.018563Z",
"updated_at": "2022-09-04T14:37:10.018591Z",
"structure_string": "Li6 Co2 O4 F4\n1.0\n0.000000 4.925338 0.055101\n5.732091 0.000000 0.000000\n0.000000 -1.582596 -4.685153\nLi Co O F\n6 2 4 4\ndirect\n0.250000 0.114177 0.500000 Li\n0.250000 0.642567 0.500000 Li\n0.250000 0.364462 0.000000 Li\n0.750000 0.357433 0.500000 Li\n0.750000 0.885823 0.500000 Li\n0.750000 0.635538 0.000000 Li\n0.250000 0.887445 0.000000 Co\n0.750000 0.112554 0.000000 Co\n0.001756 0.887288 0.223829 O\n0.498243 0.887288 0.776171 O\n0.501756 0.112712 0.223829 O\n0.998243 0.112712 0.776171 O\n0.006459 0.624925 0.749947 F\n0.506459 0.375075 0.749947 F\n0.493540 0.624925 0.250053 F\n0.993540 0.375075 0.250053 F\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Li",
"Co",
"O",
"F"
],
"chemical_system": "Co-F-Li-O",
"density": 3.774179361569702,
"density_atomic": 0.12142031903044187,
"volume": 131.77366134237025,
"volume_molar": 4.959747106652026,
"formula_full": "Li6 Co2 O4 F4",
"formula_reduced": "Li3Co(OF)2",
"formula_anonymous": "AB2C2D3",
"energy_above_hull": 1.155272308125,
"spacegroup": 13
},
{
"id": "jvasp-119525",
"created_at": "2022-09-04T14:38:34.854671Z",
"updated_at": "2022-09-04T14:38:34.854698Z",
"structure_string": "Li2 Co6 O4 F12\n1.0\n4.465804 0.011705 0.024019\n0.016842 5.275528 -0.652425\n-0.062247 0.050289 9.890723\nLi Co O F\n2 6 4 12\ndirect\n-0.000020 0.000003 0.000004 Li\n0.499982 -0.000017 0.499993 Li\n0.499997 0.499994 -0.000001 Co\n0.000001 0.500010 0.500001 Co\n0.017898 0.270891 0.755244 Co\n0.982102 0.729110 0.244752 Co\n0.483019 0.273379 0.253659 Co\n0.516985 0.726624 0.746343 Co\n0.815041 0.518181 0.673012 O\n0.321228 0.474524 0.823836 O\n0.678780 0.525463 0.176161 O\n0.184979 0.481837 0.326989 O\n0.707236 0.019492 0.683577 F\n0.199842 0.721700 0.068706 F\n0.689439 0.288429 0.421957 F\n0.310576 0.711577 0.578043 F\n0.800152 0.278292 0.931289 F\n0.300019 0.237213 0.076085 F\n0.810019 0.778021 0.435695 F\n0.189998 0.221998 0.564303 F\n0.699972 0.762787 0.923920 F\n0.786969 0.029372 0.177759 F\n0.292750 0.980520 0.316423 F\n0.213012 0.970613 0.822241 F\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"Co",
"O",
"F"
],
"chemical_system": "Co-F-Li-O",
"density": 4.696330891019278,
"density_atomic": 0.1029277863175753,
"volume": 233.17318732523745,
"volume_molar": 5.850840648043449,
"formula_full": "Li2 Co6 O4 F12",
"formula_reduced": "LiCo3(OF3)2",
"formula_anonymous": "AB2C3D6",
"energy_above_hull": 1.31275261625,
"spacegroup": 2
},
{
"id": "jvasp-42722",
"created_at": "2022-09-04T14:35:55.712686Z",
"updated_at": "2022-09-04T14:35:55.712709Z",
"structure_string": "Li2 Co2 O2 F4\n1.0\n4.918844 0.024415 0.044161\n-2.200487 4.399042 -0.044247\n-2.135071 -1.734655 4.464433\nLi Co O F\n2 2 2 4\ndirect\n0.878501 0.419988 0.345677 Li\n0.926827 0.968328 0.845666 Li\n0.476427 0.740100 0.217998 Co\n0.479024 0.242683 0.718003 Co\n0.389258 0.375922 0.991705 O\n0.616955 0.103591 0.491736 O\n0.659379 0.015064 0.003702 F\n0.979036 0.639929 0.972252 F\n0.333432 0.494309 0.472232 F\n0.989773 0.845444 0.503702 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Li",
"Co",
"O",
"F"
],
"chemical_system": "Co-F-Li-O",
"density": 4.101987717197027,
"density_atomic": 0.10303939566722897,
"volume": 97.05025864374743,
"volume_molar": 5.844503183470537,
"formula_full": "Li2 Co2 O2 F4",
"formula_reduced": "LiCoOF2",
"formula_anonymous": "ABCD2",
"energy_above_hull": 0.8957309930000003,
"spacegroup": 9
},
{
"id": "jvasp-48466",
"created_at": "2022-09-04T14:35:54.581189Z",
"updated_at": "2022-09-04T14:35:54.581209Z",
"structure_string": "Li1 Co5 O7 F1\n1.0\n-0.019108 4.028383 4.028383\n4.028383 -0.019108 4.028383\n4.028383 4.028383 -0.019108\nLi Co O F\n1 5 7 1\ndirect\n0.008629 0.008629 0.008629 Li\n0.245080 0.245080 0.245080 Co\n0.619331 0.619331 0.125579 Co\n0.619331 0.125579 0.619331 Co\n0.125579 0.619331 0.619331 Co\n0.625660 0.625660 0.625660 Co\n0.835904 0.387246 0.387246 O\n0.384470 0.384470 0.384470 O\n0.387246 0.835904 0.387246 O\n0.387246 0.387246 0.835904 O\n0.860601 0.860601 0.417319 O\n0.860601 0.417319 0.860601 O\n0.417319 0.860601 0.860601 O\n0.873000 0.873000 0.873000 F\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Co",
"O",
"F"
],
"chemical_system": "Co-F-Li-O",
"density": 5.455511665688896,
"density_atomic": 0.1063228792933876,
"volume": 131.67438742293996,
"volume_molar": 5.664012111055129,
"formula_full": "Li1 Co5 O7 F1",
"formula_reduced": "LiCo5O7F",
"formula_anonymous": "ABC5D7",
"energy_above_hull": 2.8883513773214284,
"spacegroup": 160
},
{
"id": "jvasp-42308",
"created_at": "2022-09-04T14:35:57.247966Z",
"updated_at": "2022-09-04T14:35:57.247983Z",
"structure_string": "Li2 Co4 O7 F1\n1.0\n5.676525 -0.043210 -0.040545\n-2.786244 4.945775 0.040799\n-2.858036 -1.618659 4.671944\nLi Co O F\n2 4 7 1\ndirect\n0.496200 0.500352 -0.003447 Li\n0.751410 0.115732 0.867127 Li\n0.249185 0.885110 0.134293 Co\n0.985448 0.997038 0.492241 Co\n0.495183 0.506792 0.492234 Co\n0.007564 0.498286 0.505841 Co\n0.024326 0.262795 0.287135 O\n0.466047 0.709463 0.713736 O\n0.004266 0.247684 0.713711 O\n-0.000162 0.751714 0.282545 O\n0.523187 0.749361 0.272562 O\n0.530829 0.282712 0.282552 O\n0.980542 0.739918 0.720467 O\n0.485964 0.253033 0.738994 F\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Co",
"O",
"F"
],
"chemical_system": "Co-F-Li-O",
"density": 4.853245968594774,
"density_atomic": 0.10750587698223475,
"volume": 130.2254387666033,
"volume_molar": 5.601685162751756,
"formula_full": "Li2 Co4 O7 F1",
"formula_reduced": "Li2Co4O7F",
"formula_anonymous": "AB2C4D7",
"energy_above_hull": 2.651524170178571,
"spacegroup": 8
},
{
"id": "jvasp-48474",
"created_at": "2022-09-04T14:36:00.563925Z",
"updated_at": "2022-09-04T14:36:00.563951Z",
"structure_string": "Li4 Co2 O4 F2\n1.0\n1.421887 -2.462779 -0.000000\n1.421887 2.462779 0.000000\n0.000000 0.000000 13.907934\nLi Co O F\n4 2 4 2\ndirect\n0.666668 0.333334 0.333782 Li\n0.333334 0.666668 0.666218 Li\n0.000000 0.000000 0.000000 Li\n0.000000 0.000000 0.500000 Li\n0.666668 0.333334 0.833509 Co\n0.333334 0.666668 0.166490 Co\n0.666668 0.333334 0.093269 O\n0.333334 0.666668 0.906731 O\n0.000000 0.000000 0.239750 O\n0.000000 0.000000 0.760250 O\n0.666668 0.333334 0.583359 F\n0.333334 0.666668 0.416641 F\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Li",
"Co",
"O",
"F"
],
"chemical_system": "Co-F-Li-O",
"density": 4.221434808736415,
"density_atomic": 0.12319642461861156,
"volume": 97.40542420081835,
"volume_molar": 4.888243127706988,
"formula_full": "Li4 Co2 O4 F2",
"formula_reduced": "Li2CoO2F",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 1.3668780304166668,
"spacegroup": 164
}
]
}