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{
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"results": [
{
"id": "jvasp-116496",
"created_at": "2022-09-04T14:38:43.446906Z",
"updated_at": "2022-09-04T14:38:43.446928Z",
"structure_string": "Li10 Cl6 O2\n1.0\n6.172892 -0.017054 -4.430498\n-1.635234 5.952385 -4.430498\n0.013038 0.017054 7.598272\nLi Cl O\n10 6 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.982861 0.200413 0.500000 Li\n0.482862 0.982861 0.782449 Li\n0.200413 0.700413 0.217551 Li\n0.017140 0.799588 0.500000 Li\n0.700413 0.482861 0.500000 Li\n0.517139 0.017139 0.217551 Li\n0.799588 0.299588 0.782449 Li\n0.500000 0.500001 0.000000 Li\n0.299588 0.517139 0.500000 Li\n0.750001 0.750001 0.000001 Cl\n0.250000 0.250000 0.000000 Cl\n0.200862 0.700861 0.901723 Cl\n0.799139 0.299140 0.098277 Cl\n0.700862 0.799140 0.500000 Cl\n0.299139 0.200861 0.500000 Cl\n0.750000 0.250000 0.500000 O\n0.250001 0.750000 0.500000 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Li",
"Cl",
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],
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"density": 1.8635304856694834,
"density_atomic": 0.06430650685785437,
"volume": 279.9094660791933,
"volume_molar": 9.364745582140818,
"formula_full": "Li10 Cl6 O2",
"formula_reduced": "Li5Cl3O",
"formula_anonymous": "AB3C5",
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"spacegroup": 140
},
{
"id": "jvasp-116497",
"created_at": "2022-09-04T14:38:50.920367Z",
"updated_at": "2022-09-04T14:38:50.920390Z",
"structure_string": "Tl6 Si2 F14\n1.0\n7.836183 0.004621 0.000000\n-3.922529 6.783771 0.000000\n-0.000000 -0.000000 6.905707\nTl Si F\n6 2 14\ndirect\n0.163772 0.836228 0.770154 Tl\n0.672669 0.836246 0.770205 Tl\n0.836246 0.672670 0.270205 Tl\n0.163753 0.327330 0.770205 Tl\n0.327330 0.163753 0.270205 Tl\n0.836228 0.163772 0.270154 Tl\n0.333294 0.666706 0.235803 Si\n0.666705 0.333294 0.735804 Si\n0.562964 0.125960 0.591994 F\n0.770565 0.229434 0.877887 F\n0.562976 0.437024 0.592162 F\n0.459118 0.229430 0.878077 F\n0.874040 0.437036 0.591994 F\n0.770569 0.540881 0.878077 F\n0.540881 0.770569 0.378077 F\n0.229430 0.459118 0.378077 F\n0.000023 -0.000023 0.030119 F\n0.437036 0.874040 0.091993 F\n0.125959 0.562964 0.091993 F\n-0.000023 0.000023 0.530119 F\n0.437023 0.562976 0.092162 F\n0.229434 0.770566 0.377887 F\n",
"nsites": 22,
"nelements": 3,
"elements": [
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"Si",
"F"
],
"chemical_system": "F-Si-Tl",
"density": 7.001867555472533,
"density_atomic": 0.05990881436694622,
"volume": 367.22476037079053,
"volume_molar": 10.052178170500776,
"formula_full": "Tl6 Si2 F14",
"formula_reduced": "Tl3SiF7",
"formula_anonymous": "AB3C7",
"energy_above_hull": 0.0,
"spacegroup": 186
},
{
"id": "jvasp-116499",
"created_at": "2022-09-04T14:38:43.462106Z",
"updated_at": "2022-09-04T14:38:43.462139Z",
"structure_string": "Li4 Mn2 Co2 O8\n1.0\n4.957557 -0.059274 -0.197927\n-1.485632 4.772729 -0.138381\n-0.020976 -0.022601 5.842110\nLi Mn Co O\n4 2 2 8\ndirect\n0.758019 0.501337 0.121020 Li\n0.266799 0.506848 0.359308 Li\n0.733202 0.493153 0.640692 Li\n0.241981 0.498664 0.878980 Li\n0.754157 0.010818 0.366052 Mn\n0.245843 0.989183 0.633948 Mn\n0.746340 0.994876 0.877952 Co\n0.253661 0.005126 0.122048 Co\n0.989930 0.764282 0.891581 O\n0.515782 0.784634 0.117198 O\n0.023085 0.788637 0.364505 O\n0.488465 0.755522 0.638117 O\n0.511535 0.244480 0.361882 O\n0.976916 0.211364 0.635495 O\n0.484219 0.215367 0.882802 O\n0.010070 0.235719 0.108418 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.62556063313809,
"density_atomic": 0.11621655367475274,
"volume": 137.67401883881445,
"volume_molar": 5.181827002763952,
"formula_full": "Li4 Mn2 Co2 O8",
"formula_reduced": "Li2MnCoO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 2.471981517672414,
"spacegroup": 2
},
{
"id": "jvasp-116500",
"created_at": "2022-09-04T14:38:41.892349Z",
"updated_at": "2022-09-04T14:38:41.892376Z",
"structure_string": "Li3 Mn2 Co1 O6\n1.0\n4.528735 -0.007413 2.184483\n3.647866 2.683759 2.184483\n0.057758 0.018905 8.792746\nLi Mn Co O\n3 2 1 6\ndirect\n0.331849 0.331852 0.848544 Li\n-0.000001 0.000001 0.500000 Li\n0.668149 0.668151 0.151456 Li\n0.672535 0.672539 0.680818 Mn\n0.327462 0.327464 0.319182 Mn\n0.000000 0.000000 0.000000 Co\n0.347437 0.347438 0.066851 O\n0.016671 0.016673 0.765957 O\n0.674009 0.674012 0.403980 O\n0.325989 0.325991 0.596020 O\n0.983326 0.983330 0.234043 O\n0.652561 0.652565 0.933148 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.443935843303184,
"density_atomic": 0.11243411572347974,
"volume": 106.72917132654628,
"volume_molar": 5.356150774388481,
"formula_full": "Li3 Mn2 Co1 O6",
"formula_reduced": "Li3Mn2CoO6",
"formula_anonymous": "AB2C3D6",
"energy_above_hull": 2.7208096985632184,
"spacegroup": 12
},
{
"id": "jvasp-116501",
"created_at": "2022-09-04T14:38:42.399150Z",
"updated_at": "2022-09-04T14:38:42.399173Z",
"structure_string": "Li6 Mn4 O10\n1.0\n2.834096 0.073740 -0.028384\n1.131139 11.751220 1.137796\n0.053786 -0.046575 5.030816\nLi Mn O\n6 4 10\ndirect\n0.899881 0.200007 0.299995 Li\n0.399946 0.200002 0.800003 Li\n0.303749 0.392234 0.092794 Li\n0.496235 0.007773 0.507216 Li\n0.701828 0.596383 0.900323 Li\n0.098233 0.803623 0.699665 Li\n0.996734 0.006220 0.992473 Mn\n0.600916 0.798159 0.201280 Mn\n0.803280 0.393778 0.607538 Mn\n0.199147 0.601839 0.398712 Mn\n0.053952 0.891469 0.328910 O\n0.455152 0.088867 0.141360 O\n0.344848 0.311129 0.458651 O\n0.844753 0.310689 0.922644 O\n0.955224 0.089311 0.677375 O\n0.250409 0.498976 0.721112 O\n0.549603 0.901021 0.878886 O\n0.651066 0.697411 0.534272 O\n0.148970 0.702584 0.065724 O\n0.746103 0.508528 0.271087 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Li",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 4.182504419310138,
"density_atomic": 0.1195448399213864,
"volume": 167.3012403810332,
"volume_molar": 5.03755809448589,
"formula_full": "Li6 Mn4 O10",
"formula_reduced": "Li3Mn2O5",
"formula_anonymous": "A2B3C5",
"energy_above_hull": 2.4975401982758623,
"spacegroup": 12
},
{
"id": "jvasp-116502",
"created_at": "2022-09-04T14:38:43.369817Z",
"updated_at": "2022-09-04T14:38:43.369857Z",
"structure_string": "Li6 Co4 O10\n1.0\n11.685941 0.021162 1.066717\n11.338349 2.829047 1.066717\n-0.036835 -0.004560 4.935571\nLi Co O\n6 4 10\ndirect\n-0.000000 -0.000000 0.500000 Li\n0.403091 0.403092 0.703179 Li\n0.801580 0.801581 0.897702 Li\n0.198420 0.198420 0.102299 Li\n0.596908 0.596908 0.296822 Li\n0.500000 0.500000 0.000001 Li\n0.299944 0.299945 0.398358 Co\n0.700055 0.700056 0.601643 Co\n0.097165 0.097166 0.806608 Co\n0.902834 0.902835 0.193393 Co\n0.248050 0.248050 0.724418 O\n0.945574 0.945575 0.869571 O\n0.351743 0.351743 0.078443 O\n0.751949 0.751950 0.275583 O\n0.153637 0.153637 0.483169 O\n0.555981 0.555982 0.663857 O\n0.054425 0.054425 0.130429 O\n0.444018 0.444018 0.336144 O\n0.846362 0.846363 0.516832 O\n0.648256 0.648257 0.921558 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Li",
"Co",
"O"
],
"chemical_system": "Co-Li-O",
"density": 4.480462686448982,
"density_atomic": 0.12338205855905303,
"volume": 162.0981221546698,
"volume_molar": 4.880888542735479,
"formula_full": "Li6 Co4 O10",
"formula_reduced": "Li3Co2O5",
"formula_anonymous": "A2B3C5",
"energy_above_hull": 2.30810293,
"spacegroup": 12
},
{
"id": "jvasp-116503",
"created_at": "2022-09-04T14:38:41.822746Z",
"updated_at": "2022-09-04T14:38:41.822774Z",
"structure_string": "Li8 Co6 O14\n1.0\n16.334185 0.055172 -0.302154\n16.078832 2.877463 -0.302154\n-0.114414 -0.010352 4.927111\nLi Co O\n8 6 14\ndirect\n0.930709 0.930706 0.145350 Li\n0.358736 0.358735 0.279185 Li\n0.786148 0.786145 0.425786 Li\n0.213854 0.213853 0.574215 Li\n0.641266 0.641264 0.720816 Li\n0.500001 0.499999 0.000001 Li\n0.069292 0.069293 0.854651 Li\n-0.000000 0.000000 0.500000 Li\n0.714346 0.714343 0.073864 Co\n0.285656 0.285656 0.926137 Co\n0.142992 0.142991 0.220160 Co\n0.569726 0.569724 0.364661 Co\n0.430275 0.430274 0.635340 Co\n0.857010 0.857007 0.779841 Co\n0.609879 0.609877 0.073122 O\n0.180289 0.180289 0.924990 O\n0.751366 0.751363 0.777724 O\n0.322469 0.322468 0.629683 O\n0.893969 0.893966 0.489770 O\n0.106033 0.106033 0.510231 O\n0.539024 0.539022 0.661981 O\n0.248636 0.248635 0.222278 O\n0.819713 0.819709 0.075011 O\n0.390123 0.390122 0.926879 O\n0.959813 0.959810 0.802707 O\n0.460978 0.460976 0.338020 O\n0.677533 0.677531 0.370318 O\n0.040188 0.040189 0.197294 O\n",
"nsites": 28,
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"elements": [
"Li",
"Co",
"O"
],
"chemical_system": "Co-Li-O",
"density": 4.62911575079068,
"density_atomic": 0.12328827754488986,
"volume": 227.1099942150223,
"volume_molar": 4.884601261305893,
"formula_full": "Li8 Co6 O14",
"formula_reduced": "Li4Co3O7",
"formula_anonymous": "A3B4C7",
"energy_above_hull": 2.4820676571428573,
"spacegroup": 12
},
{
"id": "jvasp-116504",
"created_at": "2022-09-04T14:38:41.062763Z",
"updated_at": "2022-09-04T14:38:41.062789Z",
"structure_string": "Li7 Mn2 Co3 O12\n1.0\n7.426132 -0.007126 1.313416\n6.884669 2.783672 1.313416\n0.035314 0.006852 9.521670\nLi Mn Co O\n7 2 3 12\ndirect\n0.918294 0.918290 0.749986 Li\n0.081708 0.081707 0.250015 Li\n0.249641 0.249640 0.743914 Li\n0.575709 0.575706 0.757293 Li\n0.750361 0.750357 0.256087 Li\n0.424293 0.424291 0.242708 Li\n0.000000 0.000000 0.000000 Li\n0.339304 0.339302 0.996420 Mn\n0.660698 0.660695 0.003581 Mn\n0.833451 0.833447 0.498484 Co\n0.166551 0.166550 0.501517 Co\n0.500001 0.499999 0.500000 Co\n0.869531 0.869527 0.114316 O\n0.790574 0.790570 0.888893 O\n0.957086 0.957082 0.391031 O\n0.130471 0.130470 0.885685 O\n0.448626 0.448623 0.879575 O\n0.623933 0.623931 0.393992 O\n0.289741 0.289739 0.391284 O\n0.042916 0.042915 0.608970 O\n0.209428 0.209427 0.111108 O\n0.376069 0.376067 0.606009 O\n0.710261 0.710258 0.608717 O\n0.551376 0.551374 0.120425 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
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"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.440609893551054,
"density_atomic": 0.12172608892546986,
"volume": 197.16397866602497,
"volume_molar": 4.947288468035165,
"formula_full": "Li7 Mn2 Co3 O12",
"formula_reduced": "Li7Mn2(CoO4)3",
"formula_anonymous": "A2B3C7D12",
"energy_above_hull": 2.6895003826149426,
"spacegroup": 12
},
{
"id": "jvasp-116505",
"created_at": "2022-09-04T14:38:31.868281Z",
"updated_at": "2022-09-04T14:38:31.868318Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n5.324244 -0.062264 -2.155412\n0.575558 5.729890 -2.740785\n-0.107856 0.005320 7.521670\nLi Mn Co O\n8 2 4 14\ndirect\n0.216982 0.437792 0.145327 Li\n0.931881 0.864617 0.296431 Li\n0.634559 0.273845 0.426021 Li\n0.360080 0.720982 0.563178 Li\n0.067683 0.143753 0.706676 Li\n0.786925 0.568211 0.854940 Li\n0.500375 0.990833 0.006185 Li\n0.430086 0.861663 0.292080 Li\n0.008567 0.995012 0.003276 Mn\n0.708494 0.437454 0.144998 Mn\n0.570251 0.141597 0.712295 Co\n0.286431 0.572498 0.858626 Co\n0.143184 0.282555 0.427099 Co\n0.855615 0.715674 0.569375 Co\n0.105745 0.721587 0.057040 O\n0.880427 0.273970 0.933183 O\n0.603396 0.692015 0.065118 O\n0.295896 0.143044 0.207878 O\n0.018686 0.563087 0.358304 O\n0.746080 0.996094 0.515812 O\n0.443657 0.414002 0.644719 O\n0.165158 0.846101 0.789547 O\n0.560454 0.563934 0.355701 O\n0.259319 0.022396 0.508938 O\n0.984092 0.442675 0.639064 O\n0.693320 0.867823 0.781525 O\n0.408608 0.298884 0.929438 O\n0.834035 0.147911 0.207219 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
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"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.543760174709957,
"density_atomic": 0.12256177903955758,
"volume": 228.45621383288525,
"volume_molar": 4.913555275708193,
"formula_full": "Li8 Mn2 Co4 O14",
"formula_reduced": "Li4MnCo2O7",
"formula_anonymous": "AB2C4D7",
"energy_above_hull": 2.5535159672413794,
"spacegroup": 1
},
{
"id": "jvasp-116506",
"created_at": "2022-09-04T14:38:49.701316Z",
"updated_at": "2022-09-04T14:38:49.701341Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n10.185338 -0.012093 2.043935\n9.791844 2.803756 2.043935\n0.037342 0.005218 8.029426\nLi Mn Co O\n8 2 4 14\ndirect\n0.574885 0.574889 0.239354 Li\n0.709514 0.709518 0.629359 Li\n0.855994 0.855998 0.071000 Li\n0.005514 0.005515 0.499837 Li\n0.145509 0.145511 0.923175 Li\n0.282773 0.282775 0.363960 Li\n0.428034 0.428037 0.774507 Li\n0.139836 0.139837 0.435648 Li\n0.000690 0.000690 0.000001 Mn\n0.713753 0.713757 0.152386 Mn\n0.572156 0.572160 0.710925 Co\n0.856441 0.856446 0.569024 Co\n0.285638 0.285640 0.854860 Co\n0.428828 0.428831 0.285118 Co\n0.291860 0.291862 0.613647 O\n0.565071 0.565075 0.964928 O\n0.717331 0.717335 0.373548 O\n0.850708 0.850714 0.811834 O\n0.994668 0.994673 0.242224 O\n0.134307 0.134309 0.686308 O\n0.281261 0.281263 0.098230 O\n0.420719 0.420722 0.525998 O\n0.569704 0.569708 0.481383 O\n0.721353 0.721357 0.897005 O\n0.865134 0.865139 0.325153 O\n0.003441 0.003442 0.761335 O\n0.150936 0.150937 0.170842 O\n0.433896 0.433898 0.038433 O\n",
"nsites": 28,
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"elements": [
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"Mn",
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],
"chemical_system": "Co-Li-Mn-O",
"density": 4.512680868479435,
"density_atomic": 0.12172345683141612,
"volume": 230.02961572788132,
"volume_molar": 4.9473954460071825,
"formula_full": "Li8 Mn2 Co4 O14",
"formula_reduced": "Li4MnCo2O7",
"formula_anonymous": "AB2C4D7",
"energy_above_hull": 2.5552181100985223,
"spacegroup": 8
},
{
"id": "jvasp-116507",
"created_at": "2022-09-04T14:38:42.474699Z",
"updated_at": "2022-09-04T14:38:42.474718Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n8.667234 -0.008838 3.994169\n8.203562 2.796888 3.994169\n0.031573 0.005218 9.481292\nLi Mn Co O\n8 2 4 14\ndirect\n0.360226 0.360227 0.074462 Li\n0.057929 0.057929 0.229553 Li\n0.798990 0.798992 0.353963 Li\n0.495625 0.495627 0.494578 Li\n0.216098 0.216099 0.640309 Li\n0.928105 0.928108 0.779252 Li\n0.642642 0.642645 0.923614 Li\n0.428561 0.428562 0.295009 Li\n0.997111 0.997112 0.006748 Mn\n0.713926 0.713927 0.142833 Mn\n0.572519 0.572520 0.712468 Co\n0.284639 0.284641 0.857398 Co\n0.143570 0.143571 0.428087 Co\n0.857991 0.857993 0.568053 Co\n0.813530 0.813532 0.963210 O\n0.472013 0.472015 0.891128 O\n0.183104 0.183104 0.040859 O\n0.900019 0.900020 0.160741 O\n0.614964 0.614965 0.321646 O\n0.323731 0.323732 0.477964 O\n0.045413 0.045414 0.608744 O\n0.756525 0.756527 0.755739 O\n0.244619 0.244619 0.245436 O\n0.958572 0.958573 0.407176 O\n0.670801 0.670802 0.531374 O\n0.383440 0.383441 0.680884 O\n0.101482 0.101483 0.816204 O\n0.533831 0.533832 0.092573 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
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"O"
],
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"density": 4.510073211913051,
"density_atomic": 0.1216531188259732,
"volume": 230.16261539545454,
"volume_molar": 4.950255955718465,
"formula_full": "Li8 Mn2 Co4 O14",
"formula_reduced": "Li4MnCo2O7",
"formula_anonymous": "AB2C4D7",
"energy_above_hull": 2.5553188243842366,
"spacegroup": 8
},
{
"id": "jvasp-116508",
"created_at": "2022-09-04T14:38:41.930724Z",
"updated_at": "2022-09-04T14:38:41.930752Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n8.728320 -0.041345 3.856318\n8.277984 2.767717 3.856318\n0.191094 0.030635 9.485237\nLi Mn Co O\n8 2 4 14\ndirect\n0.342571 0.342573 0.076773 Li\n0.083425 0.083427 0.202242 Li\n0.786438 0.786443 0.353066 Li\n0.498133 0.498138 0.500170 Li\n0.215787 0.215790 0.649301 Li\n0.924708 0.924717 0.783910 Li\n0.650485 0.650492 0.933434 Li\n0.713852 0.713857 0.134852 Li\n0.999405 0.999411 0.000546 Mn\n0.145942 0.145944 0.422298 Mn\n0.569957 0.569963 0.715542 Co\n0.284698 0.284702 0.861712 Co\n0.429148 0.429151 0.285159 Co\n0.857830 0.857838 0.570891 Co\n0.818752 0.818760 0.951881 O\n0.469399 0.469405 0.897222 O\n0.184069 0.184070 0.023954 O\n0.900266 0.900272 0.178868 O\n0.608810 0.608814 0.337244 O\n0.330694 0.330698 0.465754 O\n0.041413 0.041416 0.613425 O\n0.758727 0.758734 0.749567 O\n0.243077 0.243080 0.269865 O\n0.956996 0.957003 0.387627 O\n0.670198 0.670204 0.539134 O\n0.386330 0.386335 0.673571 O\n0.098708 0.098712 0.819384 O\n0.530111 0.530114 0.102618 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.508109002255238,
"density_atomic": 0.12160013692974367,
"volume": 230.2628986032921,
"volume_molar": 4.952412811409401,
"formula_full": "Li8 Mn2 Co4 O14",
"formula_reduced": "Li4MnCo2O7",
"formula_anonymous": "AB2C4D7",
"energy_above_hull": 2.5554181100985223,
"spacegroup": 8
}
]
}