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=478",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-elements&page=476",
"results": [
{
"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-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
},
{
"id": "jvasp-48340",
"created_at": "2022-09-04T14:36:01.559226Z",
"updated_at": "2022-09-04T14:36:01.559254Z",
"structure_string": "Li6 Co1 O1 F6\n1.0\n-0.000000 -2.014613 -2.014613\n-0.000000 2.014613 -2.014613\n14.505165 -2.014613 0.000000\nLi Co O F\n6 1 1 6\ndirect\n0.004059 0.995939 0.991879 Li\n0.853082 0.146917 0.293835 Li\n0.282049 0.717949 0.435899 Li\n0.713209 0.286790 0.573579 Li\n0.143932 0.856066 0.712135 Li\n0.575092 0.424907 0.849816 Li\n0.428570 0.571428 0.142857 Co\n0.928570 0.071429 0.142857 O\n0.506174 0.493824 0.987650 F\n0.350967 0.649032 0.298064 F\n0.782442 0.217556 0.435114 F\n0.213127 0.786872 0.573745 F\n0.644014 0.355984 0.711968 F\n0.074699 0.925300 0.850600 F\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Co",
"O",
"F"
],
"chemical_system": "Co-F-Li-O",
"density": 3.251727224233974,
"density_atomic": 0.11890280567422253,
"volume": 117.74322666832683,
"volume_molar": 5.0647591752375,
"formula_full": "Li6 Co1 O1 F6",
"formula_reduced": "Li6CoOF6",
"formula_anonymous": "ABC6D6",
"energy_above_hull": 0.5941740067857142,
"spacegroup": 139
},
{
"id": "jvasp-44301",
"created_at": "2022-09-04T14:36:21.144080Z",
"updated_at": "2022-09-04T14:36:21.144113Z",
"structure_string": "Li8 Co4 O4 F12\n1.0\n5.874013 0.000000 0.000000\n-0.000000 5.874013 0.000000\n-0.000000 -0.000000 8.075564\nLi Co O F\n8 4 4 12\ndirect\n0.259634 0.245727 0.625179 Li\n0.754272 0.259634 0.875178 Li\n0.508020 0.267220 0.245242 Li\n0.267220 0.491980 0.995241 Li\n0.732779 0.508020 0.495242 Li\n0.491980 0.732779 0.745241 Li\n0.245727 0.740365 0.375179 Li\n0.740365 0.754272 0.125179 Li\n0.243197 0.003290 0.995758 Co\n0.756803 0.996709 0.495759 Co\n0.996709 0.243197 0.245759 Co\n0.003290 0.756803 0.745759 Co\n0.203861 0.981468 0.774813 O\n0.981468 0.796138 0.524813 O\n0.018532 0.203861 0.024813 O\n0.796138 0.018532 0.274813 O\n0.285658 0.002040 0.238513 F\n0.997960 0.285658 0.488513 F\n0.494409 0.253206 0.004449 F\n0.527725 0.236690 0.491070 F\n0.236690 0.472275 0.241070 F\n0.746794 0.494409 0.254449 F\n0.253206 0.505590 0.754449 F\n0.763310 0.527725 0.741070 F\n0.505590 0.746794 0.504449 F\n0.472275 0.763310 -0.008930 F\n0.002040 0.714341 0.988512 F\n0.714341 0.997960 0.738512 F\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Co",
"O",
"F"
],
"chemical_system": "Co-F-Li-O",
"density": 3.475786937489268,
"density_atomic": 0.10048826810919588,
"volume": 278.6394922198651,
"volume_molar": 5.9928794408676875,
"formula_full": "Li8 Co4 O4 F12",
"formula_reduced": "Li2CoOF3",
"formula_anonymous": "ABC2D3",
"energy_above_hull": 0.7447021782142857,
"spacegroup": 76
},
{
"id": "jvasp-48427",
"created_at": "2022-09-04T14:36:09.720983Z",
"updated_at": "2022-09-04T14:36:09.721000Z",
"structure_string": "Li6 Co2 O2 F6\n1.0\n2.935231 -0.002138 0.000821\n-1.463996 4.899406 0.015352\n-0.004221 -1.926932 9.753938\nLi Co O F\n6 2 2 6\ndirect\n0.752293 0.505617 0.129535 Li\n0.500682 0.002328 0.250197 Li\n0.500507 0.002261 0.750185 Li\n-0.003832 -0.006442 0.499944 Li\n0.249023 0.499011 0.370855 Li\n0.004876 0.011015 0.000445 Li\n0.742935 0.487029 0.647100 Co\n0.258172 0.517514 0.853287 Co\n0.884819 0.770869 0.817237 O\n0.116230 0.233674 0.683152 O\n0.875777 0.752671 0.310832 F\n0.625883 0.252886 0.433284 F\n0.629650 0.260469 0.949750 F\n0.125427 0.251970 0.189564 F\n0.375292 0.751735 0.067110 F\n0.371506 0.744116 0.550645 F\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Li",
"Co",
"O",
"F"
],
"chemical_system": "Co-F-Li-O",
"density": 3.615059034274744,
"density_atomic": 0.11401783145899348,
"volume": 140.3289274603894,
"volume_molar": 5.281753461664339,
"formula_full": "Li6 Co2 O2 F6",
"formula_reduced": "Li3CoOF3",
"formula_anonymous": "ABC3D3",
"energy_above_hull": 0.7584644059375002,
"spacegroup": 12
},
{
"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-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-119395",
"created_at": "2022-09-04T14:38:51.109790Z",
"updated_at": "2022-09-04T14:38:51.109822Z",
"structure_string": "Li2 Co4 O7 F1\n1.0\n4.944561 0.055108 2.774325\n1.625868 4.669932 2.774325\n0.023302 0.016757 5.666905\nLi Co O F\n2 4 7 1\ndirect\n0.500179 0.500178 -0.003495 Li\n0.883911 0.883912 0.867341 Li\n0.114621 0.114621 0.134326 Co\n0.492981 0.003000 0.492117 Co\n0.003000 0.492981 0.492117 Co\n0.501669 0.501669 0.506056 Co\n0.737143 0.737143 0.287016 O\n0.752575 0.290544 0.713629 O\n0.290543 0.752575 0.713629 O\n0.717238 0.248018 0.282913 O\n0.250732 0.250732 0.271852 O\n0.248018 0.717238 0.282913 O\n0.259974 0.259975 0.720900 O\n0.746829 0.746829 0.739256 F\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Co",
"O",
"F"
],
"chemical_system": "Co-F-Li-O",
"density": 4.865674554858337,
"density_atomic": 0.10778118675935297,
"volume": 129.89279874286703,
"volume_molar": 5.587376555284974,
"formula_full": "Li2 Co4 O7 F1",
"formula_reduced": "Li2Co4O7F",
"formula_anonymous": "AB2C4D7",
"energy_above_hull": 2.650267027321428,
"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-46959",
"created_at": "2022-09-04T14:38:02.206860Z",
"updated_at": "2022-09-04T14:38:02.206880Z",
"structure_string": "Li4 Co3 O2 F6\n1.0\n-5.021002 -0.017938 0.001793\n0.896732 5.186222 -0.036170\n-0.072901 -1.767044 -5.509315\nLi Co O F\n4 3 2 6\ndirect\n0.256893 0.974251 0.866078 Li\n0.761007 -0.003277 0.633068 Li\n0.238993 0.003277 0.366933 Li\n0.743107 0.025750 0.133923 Li\n0.501617 0.495754 0.778912 Co\n0.498383 0.504246 0.221089 Co\n0.000000 0.500000 -0.000000 Co\n0.642269 0.254955 0.937170 O\n0.357731 0.745046 0.062831 O\n0.134084 0.207013 0.687748 F\n0.872105 0.771716 0.826577 F\n0.401265 0.744937 0.564562 F\n0.598735 0.255063 0.435439 F\n0.865916 0.792987 0.312254 F\n0.127895 0.228284 0.173424 F\n",
"nsites": 15,
"nelements": 4,
"elements": [
"Li",
"Co",
"O",
"F"
],
"chemical_system": "Co-F-Li-O",
"density": 4.0510489494071455,
"density_atomic": 0.10438935325200867,
"volume": 143.692814762327,
"volume_molar": 5.768922377995594,
"formula_full": "Li4 Co3 O2 F6",
"formula_reduced": "Li4Co3(OF3)2",
"formula_anonymous": "A2B3C4D6",
"energy_above_hull": 1.2278074263333336,
"spacegroup": 2
},
{
"id": "jvasp-113216",
"created_at": "2022-09-04T14:38:44.440225Z",
"updated_at": "2022-09-04T14:38:44.440253Z",
"structure_string": "Li8 Co4 O4 F12\n1.0\n5.872694 0.000076 0.000034\n-0.000091 5.872694 -0.000005\n-0.000029 -0.000040 8.062580\nLi Co O F\n8 4 4 12\ndirect\n0.245670 0.260008 0.375138 Li\n0.260010 0.754330 0.125138 Li\n0.739991 0.245671 0.625136 Li\n0.754328 0.739992 0.875138 Li\n0.266432 0.508140 0.754659 Li\n0.491861 0.266431 0.004658 Li\n0.508138 0.733569 0.504659 Li\n0.733567 0.491862 0.254658 Li\n0.242918 0.996773 0.754110 Co\n0.757080 0.003227 0.254111 Co\n0.003227 0.242917 0.004112 Co\n0.996772 0.757082 0.504111 Co\n0.981588 0.203690 0.225176 O\n0.796312 0.981585 0.475179 O\n0.203686 0.018413 0.975176 O\n0.018413 0.796311 0.725177 O\n0.002217 0.285669 0.761236 F\n0.285672 0.997785 0.511236 F\n0.714329 0.002217 0.011237 F\n0.997783 0.714330 0.261237 F\n0.252650 0.493946 0.995953 F\n0.493947 0.747351 0.745952 F\n0.506053 0.252649 0.245952 F\n0.747349 0.506052 0.495952 F\n0.236685 0.528226 0.508729 F\n0.471777 0.236688 0.758729 F\n0.528223 0.763314 0.258730 F\n0.763316 0.471776 0.008729 F\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Co",
"O",
"F"
],
"chemical_system": "Co-F-Li-O",
"density": 3.48294835822641,
"density_atomic": 0.10069531151548604,
"volume": 278.0665711103525,
"volume_molar": 5.980557256703901,
"formula_full": "Li8 Co4 O4 F12",
"formula_reduced": "Li2CoOF3",
"formula_anonymous": "ABC2D3",
"energy_above_hull": 0.7410164639285715,
"spacegroup": 76
},
{
"id": "jvasp-113246",
"created_at": "2022-09-04T14:38:46.819286Z",
"updated_at": "2022-09-04T14:38:46.819314Z",
"structure_string": "Li3 Co5 O1 F11\n1.0\n4.932387 0.039481 1.418767\n-2.827614 4.813586 0.502972\n0.039514 0.235030 8.909783\nLi Co O F\n3 5 1 11\ndirect\n0.161313 0.373712 0.058028 Li\n0.144496 0.859416 0.582046 Li\n0.859062 0.641239 0.930035 Li\n0.358876 0.872613 0.162495 Co\n0.335560 0.358660 0.658604 Co\n0.626055 0.613235 0.339809 Co\n0.653121 0.136376 0.838520 Co\n0.876499 0.127622 0.424091 Co\n0.239613 0.288853 0.469552 O\n0.558007 0.112946 0.629044 F\n0.426174 0.362974 0.867516 F\n0.766502 0.720546 0.534202 F\n0.756509 0.238416 0.037518 F\n0.053436 0.026763 0.210740 F\n0.557568 0.624574 0.123487 F\n0.449637 0.893710 0.375262 F\n0.050761 0.527695 0.724037 F\n0.947120 0.482908 0.281192 F\n0.247660 0.772870 0.965762 F\n0.932042 0.964876 0.788055 F\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"Co",
"O",
"F"
],
"chemical_system": "Co-F-Li-O",
"density": 4.258675973340783,
"density_atomic": 0.09490372352231442,
"volume": 210.73988730587016,
"volume_molar": 6.345526325512436,
"formula_full": "Li3 Co5 O1 F11",
"formula_reduced": "Li3Co5OF11",
"formula_anonymous": "AB3C5D11",
"energy_above_hull": 1.1154205553749998,
"spacegroup": 1
}
]
}