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"results": [
{
"id": "jvasp-119420",
"created_at": "2022-09-04T14:38:33.011693Z",
"updated_at": "2022-09-04T14:38:33.011727Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n4.890890 -0.039085 -0.494761\n-1.621716 5.485941 -0.038455\n0.046966 -0.034872 8.546038\nLi Mn Co O\n8 2 4 14\ndirect\n0.429728 0.362478 0.852671 Li\n0.720160 0.929628 0.427511 Li\n0.852760 0.216438 0.705183 Li\n0.145637 0.774454 0.293134 Li\n0.277026 0.078054 0.561574 Li\n0.559641 0.635070 0.154482 Li\n0.007668 0.499321 0.004783 Li\n0.145056 0.289815 0.293256 Li\n0.000230 0.001343 0.001304 Mn\n0.574718 0.149003 0.149910 Mn\n0.429233 0.858262 0.857218 Co\n0.713687 0.426251 0.426915 Co\n0.285260 0.569662 0.569335 Co\n0.857477 0.715026 0.712840 Co\n0.720537 0.700135 0.918293 O\n0.285240 0.296450 0.066462 O\n0.565613 0.870663 0.655275 O\n0.716060 0.162678 0.936600 O\n-0.005667 0.724937 0.509272 O\n0.138730 0.015561 0.793816 O\n0.437396 0.599017 0.371875 O\n0.833062 0.446507 0.216257 O\n0.578596 0.417443 0.632675 O\n0.847148 0.969739 0.196513 O\n0.000286 0.271399 0.501609 O\n0.285050 0.840276 0.065300 O\n0.449479 0.117124 0.348133 O\n0.150194 0.563274 0.777800 O\n",
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],
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"volume": 228.8512103446773,
"volume_molar": 4.9220507206857675,
"formula_full": "Li8 Mn2 Co4 O14",
"formula_reduced": "Li4MnCo2O7",
"formula_anonymous": "AB2C4D7",
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{
"id": "jvasp-118995",
"created_at": "2022-09-04T14:38:31.990187Z",
"updated_at": "2022-09-04T14:38:31.990210Z",
"structure_string": "Li7 Mn4 Co1 O12\n1.0\n2.833755 -0.079083 0.042375\n0.133592 5.631183 1.307340\n-0.191595 -0.128884 12.441043\nLi Mn Co O\n7 4 1 12\ndirect\n0.000127 0.479354 0.017010 Li\n0.500040 0.328397 0.836746 Li\n0.500003 0.665831 0.166896 Li\n0.999909 0.848336 0.319731 Li\n0.499914 0.003446 0.496579 Li\n-0.000019 0.174936 0.662979 Li\n0.500005 0.165191 0.167759 Li\n0.000131 -0.001082 0.007223 Mn\n-0.000115 0.333487 0.327630 Mn\n0.500022 0.829597 0.832281 Mn\n0.000006 0.671182 0.666140 Mn\n0.499953 0.501951 0.499624 Co\n0.500350 0.225684 -0.001408 O\n0.000264 0.059040 0.836677 O\n-0.000026 0.412818 0.180397 O\n0.500144 0.562402 0.341940 O\n0.000166 0.727020 0.507852 O\n0.500250 0.903608 0.669901 O\n0.499855 0.767520 0.991424 O\n-0.000219 0.598224 0.827735 O\n0.000095 0.918582 0.153927 O\n0.499660 0.105754 0.335762 O\n-0.000278 0.278038 0.494330 O\n0.499780 0.440687 0.660868 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
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],
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"density": 4.328608008496825,
"density_atomic": 0.12048173296908432,
"volume": 199.20032197875517,
"volume_molar": 4.998384909972439,
"formula_full": "Li7 Mn4 Co1 O12",
"formula_reduced": "Li7Mn4CoO12",
"formula_anonymous": "AB4C7D12",
"energy_above_hull": 2.786090911063218,
"spacegroup": 6
},
{
"id": "jvasp-118989",
"created_at": "2022-09-04T14:38:31.795999Z",
"updated_at": "2022-09-04T14:38:31.796027Z",
"structure_string": "Li6 Mn3 Co1 O10\n1.0\n10.427397 -0.040496 1.375294\n10.051823 2.773641 1.375294\n-0.030972 -0.004133 5.816657\nLi Mn Co O\n6 3 1 10\ndirect\n0.401463 0.401462 0.297696 Li\n0.192276 0.192278 0.913096 Li\n0.794976 0.794973 0.109195 Li\n0.599406 0.599406 0.700353 Li\n0.009028 0.009029 0.484887 Li\n0.600500 0.600498 0.198118 Li\n0.004037 0.004037 0.003075 Mn\n0.799861 0.799859 0.598155 Mn\n0.400965 0.400965 0.799914 Mn\n0.189178 0.189178 0.392328 Co\n0.497844 0.497843 0.224622 O\n0.307284 0.307285 0.829455 O\n0.903317 0.903314 0.025966 O\n0.710420 0.710419 0.639166 O\n0.101874 0.101875 0.455563 O\n0.304040 0.304039 0.375525 O\n0.089934 0.089936 0.951613 O\n0.701678 0.701676 0.158338 O\n0.494175 0.494175 0.770571 O\n0.897751 0.897749 0.572362 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
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],
"chemical_system": "Co-Li-Mn-O",
"density": 4.137649724207645,
"density_atomic": 0.11715209789329913,
"volume": 170.71824030172968,
"volume_molar": 5.140446366982606,
"formula_full": "Li6 Mn3 Co1 O10",
"formula_reduced": "Li6Mn3CoO10",
"formula_anonymous": "AB3C6D10",
"energy_above_hull": 2.6997833812068963,
"spacegroup": 8
},
{
"id": "jvasp-118993",
"created_at": "2022-09-04T14:38:31.941332Z",
"updated_at": "2022-09-04T14:38:31.941369Z",
"structure_string": "Li7 Mn2 Co3 O12\n1.0\n4.860033 0.030478 1.055799\n1.413371 5.395543 1.046187\n-0.005324 0.037754 7.485069\nLi Mn Co O\n7 2 3 12\ndirect\n0.502042 0.825088 0.163937 Li\n0.492331 0.347574 0.159056 Li\n0.504427 0.498393 0.496279 Li\n0.497825 0.005142 0.494559 Li\n0.495905 0.175836 0.839170 Li\n0.507320 0.649832 0.846566 Li\n0.997449 0.498490 0.004448 Li\n0.002369 0.002630 0.003406 Mn\n0.001771 0.825686 0.669162 Mn\n-0.001989 0.170607 0.330348 Co\n0.000047 0.332442 0.668602 Co\n0.998533 0.666020 0.331374 Co\n0.773819 0.843104 0.904623 O\n0.230465 0.157335 0.089457 O\n0.228159 0.682877 0.089506 O\n0.221182 0.842762 0.421518 O\n0.211446 0.340748 0.420203 O\n0.231672 0.509740 0.737189 O\n0.223820 0.003367 0.753854 O\n0.770247 0.494042 0.260073 O\n0.778628 -0.005421 0.245470 O\n0.780872 0.157124 0.578188 O\n0.780095 0.660035 0.581401 O\n0.771566 0.316541 0.911620 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
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],
"chemical_system": "Co-Li-Mn-O",
"density": 4.470414893187163,
"density_atomic": 0.12254310418308065,
"volume": 195.84945362689487,
"volume_molar": 4.914304072959389,
"formula_full": "Li7 Mn2 Co3 O12",
"formula_reduced": "Li7Mn2(CoO4)3",
"formula_anonymous": "A2B3C7D12",
"energy_above_hull": 2.6895070492816093,
"spacegroup": 1
},
{
"id": "jvasp-118996",
"created_at": "2022-09-04T14:38:32.019774Z",
"updated_at": "2022-09-04T14:38:32.019805Z",
"structure_string": "Li7 Mn4 Co1 O12\n1.0\n2.830087 0.000000 0.000000\n-0.000000 5.604808 1.257131\n-0.000000 -0.058381 13.391044\nLi Mn Co O\n7 4 1 12\ndirect\n0.500000 0.834581 0.822624 Li\n0.500000 0.490457 0.524851 Li\n0.500000 0.175673 0.155310 Li\n0.000000 0.164982 0.664734 Li\n0.000000 0.819334 0.352298 Li\n0.000000 0.509327 0.980914 Li\n0.000000 0.665818 0.669705 Li\n0.000000 0.009258 0.990275 Mn\n0.500000 0.985971 0.516863 Mn\n0.000000 0.329797 0.342589 Mn\n0.500000 0.664668 0.160904 Mn\n0.500000 0.358243 0.811327 Co\n0.500000 0.778772 0.991213 O\n0.500000 0.406082 0.673392 O\n0.500000 0.094475 0.349348 O\n0.000000 0.095977 0.847277 O\n0.000000 0.769566 0.504242 O\n0.000000 0.434176 0.165314 O\n0.500000 0.921276 0.652918 O\n0.500000 0.563567 0.335645 O\n0.500000 0.227717 0.001134 O\n0.000000 0.223045 0.506760 O\n0.000000 0.903269 0.149054 O\n0.000000 0.573978 0.831303 O\n",
"nsites": 24,
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"elements": [
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],
"chemical_system": "Co-Li-Mn-O",
"density": 4.055448208361227,
"density_atomic": 0.11287864993795206,
"volume": 212.61770948884038,
"volume_molar": 5.335057394210768,
"formula_full": "Li7 Mn4 Co1 O12",
"formula_reduced": "Li7Mn4CoO12",
"formula_anonymous": "AB4C7D12",
"energy_above_hull": 2.7891054943965514,
"spacegroup": 6
},
{
"id": "jvasp-112500",
"created_at": "2022-09-04T14:38:40.844137Z",
"updated_at": "2022-09-04T14:38:40.844155Z",
"structure_string": "Li4 Mn1 Co3 O8\n1.0\n2.847261 -0.019640 0.087023\n0.005482 4.868069 0.856326\n-0.293280 0.046032 9.451220\nLi Mn Co O\n4 1 3 8\ndirect\n0.000000 0.000000 0.000000 Li\n0.500012 0.745958 0.247883 Li\n-0.000000 0.500000 0.500000 Li\n0.499987 0.254042 0.752117 Li\n0.500000 -0.000000 0.500000 Mn\n-0.000018 0.751840 0.751134 Co\n0.499999 0.500000 0.000000 Co\n0.000017 0.248160 0.248866 Co\n0.500153 0.850745 0.871015 O\n0.000207 0.596544 0.119933 O\n0.500175 0.349871 0.371038 O\n0.000184 0.107964 0.620939 O\n0.499845 0.149255 0.128985 O\n0.999815 0.892036 0.379061 O\n0.499824 0.650128 0.628962 O\n-0.000208 0.403456 0.880068 O\n",
"nsites": 16,
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"elements": [
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"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.911179048580435,
"density_atomic": 0.12212047892452708,
"volume": 131.01815633959578,
"volume_molar": 4.931311122454576,
"formula_full": "Li4 Mn1 Co3 O8",
"formula_reduced": "Li4MnCo3O8",
"formula_anonymous": "AB3C4D8",
"energy_above_hull": 2.708717996336207,
"spacegroup": 10
},
{
"id": "jvasp-112510",
"created_at": "2022-09-04T14:38:40.674126Z",
"updated_at": "2022-09-04T14:38:40.674152Z",
"structure_string": "Li2 Mn2 Co2 O8\n1.0\n4.972010 -0.001882 -2.678346\n-1.640646 4.673925 -2.710689\n-0.019996 -0.106641 5.645293\nLi Mn Co O\n2 2 2 8\ndirect\n-0.000001 0.499999 -0.000001 Li\n-0.000000 0.000000 0.500000 Li\n0.499999 0.500000 0.499999 Mn\n0.500000 0.000000 -0.000000 Mn\n0.000000 0.000000 0.000000 Co\n0.500000 0.000000 0.499999 Co\n0.741262 0.211959 0.970801 O\n0.279272 0.757445 0.521686 O\n0.258850 0.229527 0.470799 O\n0.735752 0.757572 -0.021706 O\n0.264247 0.242427 0.021704 O\n0.741148 0.770473 0.529198 O\n0.720727 0.242555 0.478311 O\n0.258736 0.788041 0.029196 O\n",
"nsites": 14,
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"elements": [
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],
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"density": 4.757296027510356,
"density_atomic": 0.10851356414349854,
"volume": 129.01612909411375,
"volume_molar": 5.549666355107746,
"formula_full": "Li2 Mn2 Co2 O8",
"formula_reduced": "LiMnCoO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.660793163054187,
"spacegroup": 74
},
{
"id": "jvasp-117123",
"created_at": "2022-09-04T14:38:48.222838Z",
"updated_at": "2022-09-04T14:38:48.222866Z",
"structure_string": "Li6 Mn2 Co2 O10\n1.0\n4.880388 0.033331 -0.661065\n-1.873085 5.242385 -1.364040\n0.034026 0.002561 6.385034\nLi Mn Co O\n6 2 2 10\ndirect\n0.813042 0.597976 0.106981 Li\n0.605900 0.202978 0.696884 Li\n0.000000 -0.000000 0.500000 Li\n0.186961 0.402025 0.893018 Li\n0.394102 0.797023 0.303115 Li\n0.000001 0.500000 0.500000 Li\n0.599187 0.699234 0.699174 Mn\n0.400815 0.300767 0.300826 Mn\n0.800221 0.100693 0.101086 Co\n0.199782 0.899307 0.898913 Co\n0.103811 0.423525 0.196982 O\n0.896191 0.576475 0.803017 O\n0.684736 0.152446 0.378261 O\n0.100313 0.968480 0.189891 O\n0.324589 0.362859 0.592676 O\n0.499608 0.767791 0.986199 O\n0.675414 0.637142 0.407324 O\n0.500395 0.232209 0.013800 O\n0.899689 0.031521 0.810108 O\n0.315267 0.847554 0.621738 O\n",
"nsites": 20,
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"elements": [
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],
"chemical_system": "Co-Li-Mn-O",
"density": 4.35037182296604,
"density_atomic": 0.1220289727950379,
"volume": 163.89550400946476,
"volume_molar": 4.935008975380705,
"formula_full": "Li6 Mn2 Co2 O10",
"formula_reduced": "Li3MnCoO5",
"formula_anonymous": "ABC3D5",
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"spacegroup": 2
},
{
"id": "jvasp-119256",
"created_at": "2022-09-04T14:38:50.167625Z",
"updated_at": "2022-09-04T14:38:50.167650Z",
"structure_string": "Li6 Mn2 Co6 O16\n1.0\n5.648495 0.022163 -0.040810\n-2.854672 4.719462 -1.668482\n0.071602 -0.025429 9.778982\nLi Mn Co O\n6 2 6 16\ndirect\n0.750014 0.499998 0.249990 Li\n0.250017 0.499992 0.750011 Li\n0.999899 0.500015 -0.000074 Li\n0.500096 0.499984 0.500061 Li\n0.000081 0.499999 0.499965 Li\n0.499900 0.500003 0.000056 Li\n0.999981 0.000017 0.000004 Mn\n0.500020 -0.000018 0.499994 Mn\n0.749995 -0.000006 0.249997 Co\n0.249997 -0.000005 0.249999 Co\n0.000009 -0.000012 0.499998 Co\n0.250006 0.000005 0.750002 Co\n0.750001 0.000004 0.750000 Co\n0.499993 0.000015 0.000002 Co\n0.856409 0.215994 0.119177 O\n0.356436 0.215968 0.619170 O\n0.143571 0.784040 0.880830 O\n0.643590 0.783999 0.380820 O\n0.640470 0.784037 0.880829 O\n0.140493 0.784013 0.380824 O\n0.394916 0.789812 0.128219 O\n0.888943 0.777864 0.127882 O\n0.605066 0.210200 0.871776 O\n0.105076 0.210178 0.371775 O\n0.611047 0.222121 0.372111 O\n0.111043 0.222150 0.872113 O\n0.388962 0.777862 0.627888 O\n0.859533 0.215969 0.619172 O\n0.894936 0.789807 0.628228 O\n0.359505 0.215981 0.119177 O\n",
"nsites": 30,
"nelements": 4,
"elements": [
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"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.840987490209279,
"density_atomic": 0.11490997822913693,
"volume": 261.0739333722466,
"volume_molar": 5.240746585115102,
"formula_full": "Li6 Mn2 Co6 O16",
"formula_reduced": "Li3MnCo3O8",
"formula_anonymous": "AB3C3D8",
"energy_above_hull": 2.8216178627586213,
"spacegroup": 12
},
{
"id": "jvasp-121316",
"created_at": "2022-09-04T14:38:50.141975Z",
"updated_at": "2022-09-04T14:38:50.142002Z",
"structure_string": "Li7 Mn4 Co1 O12\n1.0\n4.888965 -0.106016 0.427162\n0.798979 4.733614 1.428726\n0.075873 0.134440 8.579456\nLi Mn Co O\n7 4 1 12\ndirect\n0.247131 0.413390 0.080559 Li\n0.752647 0.581809 0.904819 Li\n0.244034 0.750164 0.744144 Li\n0.242949 0.088324 0.425469 Li\n0.751794 0.250034 0.253170 Li\n0.760404 0.920184 0.589094 Li\n0.000356 0.333365 0.667314 Li\n-0.000054 0.005353 0.992089 Mn\n0.500274 0.495298 0.506845 Mn\n0.000012 0.665064 0.336905 Mn\n0.499990 0.830848 0.168749 Mn\n0.499958 0.166636 0.831629 Co\n0.128752 0.022316 0.202135 O\n0.630165 0.183449 0.038322 O\n0.132760 0.343949 0.881660 O\n0.137963 0.703291 0.527140 O\n0.626207 0.856035 0.371226 O\n0.607416 0.523479 0.704568 O\n0.369732 0.811700 0.964793 O\n0.868018 0.963490 0.805321 O\n0.392629 0.145573 0.627355 O\n0.373942 0.476561 0.296327 O\n0.870721 0.646402 0.128809 O\n0.862186 0.323266 0.451571 O\n",
"nsites": 24,
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"elements": [
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],
"chemical_system": "Co-Li-Mn-O",
"density": 4.350049447454472,
"density_atomic": 0.12107853030390821,
"volume": 198.2184615204676,
"volume_molar": 4.973747818778748,
"formula_full": "Li7 Mn4 Co1 O12",
"formula_reduced": "Li7Mn4CoO12",
"formula_anonymous": "AB4C7D12",
"energy_above_hull": 2.786429661063218,
"spacegroup": 1
},
{
"id": "jvasp-121315",
"created_at": "2022-09-04T14:38:50.125888Z",
"updated_at": "2022-09-04T14:38:50.125915Z",
"structure_string": "Li4 Mn3 Co1 O8\n1.0\n2.836684 0.132196 -0.021309\n-0.266295 5.763017 -0.077624\n0.062273 -0.050098 8.082644\nLi Mn Co O\n4 3 1 8\ndirect\n0.000001 0.500000 0.000000 Li\n0.500016 0.757153 0.245158 Li\n0.499983 0.242847 0.754841 Li\n-0.000000 -0.000000 0.500000 Li\n0.499977 0.256466 0.250763 Mn\n0.000000 0.500000 0.500000 Mn\n0.500022 0.743535 0.749236 Mn\n0.000000 0.000000 0.000000 Co\n0.500198 0.766909 0.987795 O\n0.000194 0.021338 0.241175 O\n0.000224 0.508795 0.743844 O\n0.500221 0.263510 0.494131 O\n0.499801 0.233092 0.012204 O\n-0.000223 0.491205 0.256156 O\n-0.000193 0.978663 0.758825 O\n0.499778 0.736491 0.505869 O\n",
"nsites": 16,
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"elements": [
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"O"
],
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"density": 4.759200171525154,
"density_atomic": 0.12083301269296252,
"volume": 132.4141444743756,
"volume_molar": 4.983853853997914,
"formula_full": "Li4 Mn3 Co1 O8",
"formula_reduced": "Li4Mn3CoO8",
"formula_anonymous": "AB3C4D8",
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"spacegroup": 10
},
{
"id": "jvasp-111641",
"created_at": "2022-09-04T14:38:50.294479Z",
"updated_at": "2022-09-04T14:38:50.294504Z",
"structure_string": "Li5 Mn2 Co1 O8\n1.0\n5.037060 0.001371 3.849185\n4.229562 2.735467 3.849185\n-0.001303 -0.000384 9.680538\nLi Mn Co O\n5 2 1 8\ndirect\n0.116890 0.116892 0.620554 Li\n0.378534 0.378537 0.851677 Li\n0.624742 0.624743 0.133168 Li\n0.879824 0.879826 0.393256 Li\n0.493647 0.493648 0.512009 Li\n0.003458 0.003461 0.996152 Mn\n0.241796 0.241797 0.258094 Mn\n0.753502 0.753505 0.743921 Co\n0.185239 0.185241 0.922403 O\n0.443337 0.443338 0.166743 O\n0.700780 0.700781 0.413876 O\n0.926651 0.926654 0.691126 O\n0.078357 0.078358 0.302863 O\n0.300323 0.300325 0.586133 O\n0.558128 0.558130 0.829459 O\n0.814778 0.814780 0.078558 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.128299682514998,
"density_atomic": 0.11999030095279534,
"volume": 133.3441109235526,
"volume_molar": 5.018856284366795,
"formula_full": "Li5 Mn2 Co1 O8",
"formula_reduced": "Li5Mn2CoO8",
"formula_anonymous": "AB2C5D8",
"energy_above_hull": 2.5683314614224138,
"spacegroup": 8
}
]
}