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=id&page=1098",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=id&page=1096",
"results": [
{
"id": "jvasp-118972",
"created_at": "2022-09-04T14:38:31.261489Z",
"updated_at": "2022-09-04T14:38:31.261504Z",
"structure_string": "Yb3 Ga9 Pt2\n1.0\n7.800847 0.025777 -2.375024\n-0.827795 4.040302 -7.034581\n-0.002042 -0.025777 8.154382\nYb Ga Pt\n3 9 2\ndirect\n0.500001 0.500000 0.000000 Yb\n0.195841 0.195841 0.000000 Yb\n0.804160 0.804159 0.000001 Yb\n0.643490 0.363157 0.280333 Ga\n0.356511 0.636842 0.719667 Ga\n0.082824 0.363156 0.719667 Ga\n0.917178 0.636843 0.280334 Ga\n0.529034 0.159624 0.369410 Ga\n0.470967 0.840376 0.630590 Ga\n0.790214 0.159624 0.630590 Ga\n0.209787 0.840376 0.369410 Ga\n0.000000 0.499999 0.500000 Ga\n0.190937 -0.000000 0.190937 Pt\n0.809063 -0.000000 0.809063 Pt\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Yb",
"Ga",
"Pt"
],
"chemical_system": "Ga-Pt-Yb",
"density": 9.980181614958962,
"density_atomic": 0.05475218355277299,
"volume": 255.69756476481115,
"volume_molar": 10.998905192877922,
"formula_full": "Yb3 Ga9 Pt2",
"formula_reduced": "Yb3Ga9Pt2",
"formula_anonymous": "A2B3C9",
"energy_above_hull": 0.0,
"spacegroup": 71
},
{
"id": "jvasp-118973",
"created_at": "2022-09-04T14:38:50.970869Z",
"updated_at": "2022-09-04T14:38:50.970896Z",
"structure_string": "Ti4 Co1 S8\n1.0\n5.271495 -0.017884 3.831862\n0.899497 5.194216 3.831862\n-0.040415 -0.033901 8.037264\nTi Co S\n4 1 8\ndirect\n0.260053 0.260055 0.995383 Ti\n0.739946 0.739947 0.004617 Ti\n0.258964 0.741036 0.499999 Ti\n0.741034 0.258966 0.500000 Ti\n0.000000 0.000000 0.000000 Co\n0.962357 0.962359 0.325949 S\n0.037642 0.037643 0.674050 S\n0.449952 0.449954 0.334648 S\n0.550046 0.550048 0.665351 S\n0.042596 0.554722 0.166709 S\n0.554721 0.042596 0.166710 S\n0.957403 0.445280 0.833290 S\n0.445278 0.957405 0.833289 S\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Ti",
"Co",
"S"
],
"chemical_system": "Co-S-Ti",
"density": 3.7989954539952655,
"density_atomic": 0.05867087682535251,
"volume": 221.57500796685753,
"volume_molar": 10.264276052881058,
"formula_full": "Ti4 Co1 S8",
"formula_reduced": "Ti4CoS8",
"formula_anonymous": "AB4C8",
"energy_above_hull": 3.0861457102564107,
"spacegroup": 12
},
{
"id": "jvasp-118974",
"created_at": "2022-09-04T14:38:31.341473Z",
"updated_at": "2022-09-04T14:38:31.341493Z",
"structure_string": "Ca4 Fe2 Os2 O12\n1.0\n5.571793 0.000000 0.000000\n-0.000000 4.399933 3.082192\n-0.000000 -0.012842 9.363963\nCa Fe Os O\n4 2 2 12\ndirect\n0.442349 0.765272 0.749151 Ca\n0.057651 0.765272 0.249151 Ca\n0.557650 0.234728 0.250848 Ca\n0.942349 0.234728 0.750848 Ca\n0.000000 0.000000 0.500000 Fe\n0.500000 -0.000000 -0.000000 Fe\n0.500000 0.500000 0.500000 Os\n0.000000 0.500000 -0.000000 Os\n0.972181 0.347468 0.247371 O\n0.527818 0.347468 0.747371 O\n0.205690 0.256875 0.549556 O\n0.294310 0.256875 0.049556 O\n0.794310 0.743124 0.450443 O\n0.800720 0.154675 0.048202 O\n0.199279 0.845325 0.951798 O\n0.300720 0.845324 0.451798 O\n0.472181 0.652532 0.252629 O\n0.699279 0.154676 0.548201 O\n0.705690 0.743125 0.950443 O\n0.027818 0.652532 0.752629 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Ca",
"Fe",
"Os",
"O"
],
"chemical_system": "Ca-Fe-O-Os",
"density": 6.1024995365896295,
"density_atomic": 0.08703866970707627,
"volume": 229.7829236971207,
"volume_molar": 6.918925553742003,
"formula_full": "Ca4 Fe2 Os2 O12",
"formula_reduced": "Ca2FeOsO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.536390234,
"spacegroup": 14
},
{
"id": "jvasp-118979",
"created_at": "2022-09-04T14:38:48.187806Z",
"updated_at": "2022-09-04T14:38:48.187824Z",
"structure_string": "Sr4 Fe3 Cl1 O8\n1.0\n3.899501 -0.000000 0.000000\n0.000000 3.899501 0.000000\n-0.000000 -0.000000 15.099731\nSr Fe Cl O\n4 3 1 8\ndirect\n0.000000 0.000000 0.618333 Sr\n0.000000 0.000000 0.132273 Sr\n0.000000 0.000000 0.381667 Sr\n0.000000 0.000000 0.867726 Sr\n0.500000 0.500000 0.751189 Fe\n0.500000 0.500000 0.248811 Fe\n0.500000 0.500000 0.500000 Fe\n0.500000 0.500000 -0.000000 Cl\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.627480 O\n-0.000000 0.500000 0.775696 O\n0.500000 0.500000 0.372520 O\n0.500000 0.000000 0.224304 O\n-0.000000 0.500000 0.500000 O\n-0.000000 0.500000 0.224304 O\n0.500000 0.000000 0.775696 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Sr",
"Fe",
"Cl",
"O"
],
"chemical_system": "Cl-Fe-O-Sr",
"density": 4.928380416498106,
"density_atomic": 0.06968394031486504,
"volume": 229.60814109684992,
"volume_molar": 8.64207840829482,
"formula_full": "Sr4 Fe3 Cl1 O8",
"formula_reduced": "Sr4Fe3ClO8",
"formula_anonymous": "AB3C4D8",
"energy_above_hull": 1.9948808629687496,
"spacegroup": 123
},
{
"id": "jvasp-118980",
"created_at": "2022-09-04T14:38:31.363161Z",
"updated_at": "2022-09-04T14:38:31.363183Z",
"structure_string": "Ca2 Cu6 O8\n1.0\n5.579737 -0.000000 0.000000\n0.000000 5.579737 0.000000\n-0.000000 -0.000000 5.579737\nCa Cu O\n2 6 8\ndirect\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Ca\n0.500000 0.000000 0.750000 Cu\n0.500000 0.000000 0.250000 Cu\n0.750000 0.500000 -0.000000 Cu\n-0.000000 0.750000 0.500000 Cu\n-0.000000 0.250000 0.500000 Cu\n0.250000 0.500000 -0.000000 Cu\n0.750000 0.750000 0.750000 O\n0.750000 0.250000 0.750000 O\n0.750000 0.750000 0.250000 O\n0.750000 0.250000 0.250000 O\n0.250000 0.750000 0.750000 O\n0.250000 0.750000 0.250000 O\n0.250000 0.250000 0.750000 O\n0.250000 0.250000 0.250000 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ca",
"Cu",
"O"
],
"chemical_system": "Ca-Cu-O",
"density": 5.634275559933624,
"density_atomic": 0.0921040644592546,
"volume": 173.71654653827085,
"volume_molar": 6.538409347465986,
"formula_full": "Ca2 Cu6 O8",
"formula_reduced": "CaCu3O4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 0.97750822125,
"spacegroup": 223
},
{
"id": "jvasp-118981",
"created_at": "2022-09-04T14:38:52.544312Z",
"updated_at": "2022-09-04T14:38:52.544346Z",
"structure_string": "Li4 Co2 O6\n1.0\n2.746274 0.091965 -0.662850\n-0.515235 5.578561 -1.378033\n0.060679 0.023588 6.286607\nLi Co O\n4 2 6\ndirect\n0.658991 0.339406 0.817552 Li\n0.341006 0.660594 0.182448 Li\n0.000000 0.000000 0.500000 Li\n-0.000001 0.500000 0.500000 Li\n0.662792 0.826806 0.825429 Co\n0.337205 0.173193 0.174572 Co\n0.171258 0.614296 0.841970 O\n0.826099 0.939471 0.151811 O\n0.488749 0.243330 0.477500 O\n0.173898 0.060528 0.848189 O\n0.828739 0.385703 0.158030 O\n0.511248 0.756669 0.522500 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Li",
"Co",
"O"
],
"chemical_system": "Co-Li-O",
"density": 4.139628705675818,
"density_atomic": 0.1238079275977542,
"volume": 96.92432651798681,
"volume_molar": 4.864099477995977,
"formula_full": "Li4 Co2 O6",
"formula_reduced": "Li2CoO3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.9104269,
"spacegroup": 12
},
{
"id": "jvasp-118982",
"created_at": "2022-09-04T14:38:50.803895Z",
"updated_at": "2022-09-04T14:38:50.803921Z",
"structure_string": "Li6 Mn4 O10\n1.0\n2.760708 0.080182 -0.651827\n-0.659143 9.428624 -1.660045\n0.053313 -0.028119 6.393454\nLi Mn O\n6 4 10\ndirect\n0.900005 0.699999 0.799992 Li\n0.400009 0.200003 0.800004 Li\n0.089538 0.294756 0.179077 Li\n0.710495 0.105244 0.420929 Li\n0.495402 0.488728 0.991270 Li\n0.304637 0.911278 0.608732 Li\n0.996630 0.005450 0.993577 Mn\n0.601732 0.799374 0.203496 Mn\n0.803347 0.394547 0.606420 Mn\n0.198248 0.600621 0.396496 Mn\n0.143030 0.937213 0.286680 O\n0.547923 0.133556 0.096591 O\n0.252072 0.266441 0.503413 O\n0.338726 0.542095 0.677788 O\n0.461263 0.857904 0.922204 O\n0.939354 0.356239 0.878617 O\n0.860651 0.043765 0.721386 O\n0.743332 0.739966 0.487293 O\n0.056655 0.660032 0.112699 O\n0.656956 0.462783 0.313318 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Li",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 4.191628764704181,
"density_atomic": 0.11980563304917902,
"volume": 166.93705872569615,
"volume_molar": 5.026592328532643,
"formula_full": "Li6 Mn4 O10",
"formula_reduced": "Li3Mn2O5",
"formula_anonymous": "A2B3C5",
"energy_above_hull": 2.497132198275862,
"spacegroup": 12
},
{
"id": "jvasp-118983",
"created_at": "2022-09-04T14:38:31.528214Z",
"updated_at": "2022-09-04T14:38:31.528243Z",
"structure_string": "Li6 Mn2 Co2 O10\n1.0\n2.841393 0.028179 0.117835\n1.318353 6.096087 1.110567\n-0.406356 0.083184 9.592295\nLi Mn Co O\n6 2 2 10\ndirect\n0.684926 0.130309 0.586699 Li\n0.910345 0.678917 0.220342 Li\n0.315070 0.869691 0.413301 Li\n0.499999 0.500000 0.000000 Li\n0.089651 0.321083 0.779659 Li\n-0.000001 0.500000 0.500000 Li\n0.798858 0.902135 0.895886 Mn\n0.201138 0.097865 0.104114 Mn\n0.600820 0.298652 0.305035 Co\n0.399176 0.701348 0.694965 Co\n0.938349 0.623655 0.842311 O\n0.254083 0.991015 0.763757 O\n0.460289 0.579626 0.346109 O\n0.850858 0.797410 0.570792 O\n0.061647 0.376345 0.157689 O\n0.658336 0.182744 0.964430 O\n0.149138 0.202590 0.429208 O\n0.341660 0.817256 0.035570 O\n0.745914 0.008985 0.236243 O\n0.539708 0.420374 0.653891 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.2997510966948385,
"density_atomic": 0.12060904928495918,
"volume": 165.82503650075736,
"volume_molar": 4.993108556698494,
"formula_full": "Li6 Mn2 Co2 O10",
"formula_reduced": "Li3MnCoO5",
"formula_anonymous": "ABC3D5",
"energy_above_hull": 2.404715564137931,
"spacegroup": 12
},
{
"id": "jvasp-118984",
"created_at": "2022-09-04T14:38:52.552733Z",
"updated_at": "2022-09-04T14:38:52.552765Z",
"structure_string": "Li6 Mn2 Co2 O10\n1.0\n4.875287 0.008171 -0.618761\n-1.859644 5.264134 -1.357099\n0.012181 -0.027296 6.391683\nLi Mn Co O\n6 2 2 10\ndirect\n0.196838 0.897384 0.405963 Li\n0.992489 0.500875 0.000782 Li\n0.410346 0.305403 0.788367 Li\n0.606951 0.691690 0.213709 Li\n0.797909 0.109279 0.593245 Li\n0.796672 0.592885 0.591767 Li\n-0.000284 0.999214 0.998502 Mn\n0.395610 0.791547 0.791593 Mn\n0.201065 0.402299 0.403240 Co\n0.600146 0.201106 0.201707 Co\n0.480184 0.741070 0.511814 O\n0.294573 0.863071 0.085313 O\n0.124008 0.466824 0.697207 O\n0.488286 0.251938 0.477657 O\n0.700339 0.678781 0.906514 O\n0.902869 0.069131 0.289172 O\n0.113808 0.951302 0.724255 O\n0.899096 0.522513 0.297733 O\n0.297313 0.331951 0.115070 O\n0.701786 0.131721 0.906380 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.34861123305446,
"density_atomic": 0.12197958782585225,
"volume": 163.9618591641217,
"volume_molar": 4.937006975788185,
"formula_full": "Li6 Mn2 Co2 O10",
"formula_reduced": "Li3MnCoO5",
"formula_anonymous": "ABC3D5",
"energy_above_hull": 2.396515564137931,
"spacegroup": 1
},
{
"id": "jvasp-118985",
"created_at": "2022-09-04T14:38:31.572291Z",
"updated_at": "2022-09-04T14:38:31.572304Z",
"structure_string": "Li7 Co5 O12\n1.0\n4.894048 0.006213 -0.509632\n-1.764182 5.282111 -1.045505\n-0.013274 -0.046468 7.483968\nLi Co O\n7 5 12\ndirect\n0.503675 0.090733 0.839788 Li\n0.498102 0.579426 0.842736 Li\n0.501488 0.248694 0.499373 Li\n0.498513 0.751305 0.500629 Li\n0.501900 0.420573 0.157266 Li\n0.496326 0.909266 0.160214 Li\n0.000000 0.500000 0.000000 Li\n0.001340 0.334899 0.330245 Co\n-0.001339 0.665100 0.669756 Co\n0.000545 0.830149 0.329967 Co\n0.000000 0.000000 0.000000 Co\n-0.000544 0.169851 0.670034 Co\n0.773719 0.729531 0.092066 O\n0.223878 0.797089 0.905954 O\n0.226282 0.270468 0.907935 O\n0.214688 0.948746 0.578711 O\n0.217749 0.450084 0.581217 O\n0.219980 0.116468 0.245938 O\n0.228739 0.622809 0.262788 O\n0.771262 0.377190 0.737213 O\n0.780021 0.883531 0.754064 O\n0.782253 0.549915 0.418784 O\n0.785313 0.051253 0.421290 O\n0.776124 0.202910 0.094047 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Li",
"Co",
"O"
],
"chemical_system": "Co-Li-O",
"density": 4.599582220791299,
"density_atomic": 0.12420162642645831,
"volume": 193.2341845314785,
"volume_molar": 4.848681078718243,
"formula_full": "Li7 Co5 O12",
"formula_reduced": "Li7Co5O12",
"formula_anonymous": "A5B7C12",
"energy_above_hull": 2.595766104166666,
"spacegroup": 2
},
{
"id": "jvasp-118986",
"created_at": "2022-09-04T14:38:50.733823Z",
"updated_at": "2022-09-04T14:38:50.733851Z",
"structure_string": "Li7 Co5 O12\n1.0\n5.087273 0.003130 -2.503311\n-1.931158 5.997825 -0.708738\n-0.036495 0.031784 6.340154\nLi Co O\n7 5 12\ndirect\n0.747918 -0.000978 0.496181 Li\n0.255403 0.325409 0.834764 Li\n0.258707 0.677694 0.164591 Li\n0.741291 0.322306 0.835407 Li\n0.252080 0.000977 0.503818 Li\n0.744595 0.674592 0.165235 Li\n0.500000 0.000000 -0.000000 Li\n0.995401 0.330674 0.329738 Co\n0.004597 0.669326 0.670260 Co\n0.500508 0.669337 0.670997 Co\n0.000000 0.000000 0.000000 Co\n0.499490 0.330663 0.329002 Co\n0.889680 0.017490 0.242376 O\n0.110318 0.982510 0.757623 O\n0.641235 0.339930 0.110394 O\n0.629729 0.651597 0.435525 O\n0.128804 0.319572 0.099149 O\n0.638659 0.982713 0.757860 O\n0.132642 0.652681 0.436882 O\n0.361339 0.017287 0.242138 O\n0.867356 0.347319 0.563116 O\n0.871194 0.680428 0.900850 O\n0.370269 0.348403 0.564474 O\n0.358763 0.660070 0.889604 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Li",
"Co",
"O"
],
"chemical_system": "Co-Li-O",
"density": 4.600083739091861,
"density_atomic": 0.12421516882783791,
"volume": 193.2131174193707,
"volume_molar": 4.8481524574077435,
"formula_full": "Li7 Co5 O12",
"formula_reduced": "Li7Co5O12",
"formula_anonymous": "A5B7C12",
"energy_above_hull": 2.5958056875,
"spacegroup": 2
},
{
"id": "jvasp-118987",
"created_at": "2022-09-04T14:38:47.449559Z",
"updated_at": "2022-09-04T14:38:47.449592Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n14.267422 -0.071523 1.523669\n14.000152 2.749578 1.523669\n0.047240 0.004475 5.723009\nLi Mn Co O\n8 2 4 14\ndirect\n0.428114 0.428118 0.786563 Li\n0.275349 0.275351 0.345750 Li\n0.150955 0.150959 0.936474 Li\n0.854437 0.854441 0.074786 Li\n0.713952 0.713957 0.644751 Li\n0.575504 0.575507 0.213976 Li\n0.001663 0.001664 0.498242 Li\n0.713550 0.713554 0.141592 Li\n0.000407 0.000407 -0.000790 Mn\n0.856506 0.856511 0.571420 Mn\n0.284071 0.284075 0.862038 Co\n0.144381 0.144383 0.425144 Co\n0.571637 0.571642 0.714255 Co\n0.428858 0.428861 0.286262 Co\n0.497699 0.497702 0.235357 O\n0.501432 0.501437 0.765207 O\n0.360818 0.360821 0.335939 O\n0.220049 0.220052 0.886629 O\n0.932084 0.932088 0.052647 O\n0.790186 0.790192 0.617939 O\n0.642496 0.642500 0.204268 O\n0.073999 0.074000 0.487903 O\n0.356182 0.356186 0.802554 O\n0.208216 0.208218 0.400440 O\n0.067524 0.067528 0.949635 O\n0.786081 0.786084 0.080199 O\n0.638148 0.638153 0.661507 O\n0.925651 0.925656 0.519323 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.512557448030564,
"density_atomic": 0.12172012773190342,
"volume": 230.0359071399583,
"volume_molar": 4.947530759468278,
"formula_full": "Li8 Mn2 Co4 O14",
"formula_reduced": "Li4MnCo2O7",
"formula_anonymous": "AB2C4D7",
"energy_above_hull": 2.5582516815270937,
"spacegroup": 8
}
]
}