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"results": [
{
"id": "jvasp-112920",
"created_at": "2022-09-04T14:38:45.276954Z",
"updated_at": "2022-09-04T14:38:45.276983Z",
"structure_string": "Li7 Mn4 Co1 O12\n1.0\n2.839562 0.000000 0.000000\n-0.000000 7.211195 3.602661\n0.000000 -0.164621 9.651550\nLi Mn Co O\n7 4 1 12\ndirect\n0.500000 0.835027 0.830600 Li\n0.500000 0.495902 0.510600 Li\n0.500000 0.169248 0.157889 Li\n0.000000 0.485260 0.988983 Li\n0.000000 0.178350 0.674199 Li\n0.000000 0.836720 0.335827 Li\n0.500000 0.333346 0.832126 Li\n0.000000 0.010142 0.997108 Mn\n0.000000 0.658175 0.668933 Mn\n0.000000 0.333809 0.332004 Mn\n0.500000 0.663291 0.166955 Mn\n0.500000 0.001130 0.502108 Co\n0.500000 0.071812 0.849533 O\n0.500000 0.757193 0.511834 O\n0.500000 0.416183 0.176582 O\n0.000000 0.747863 0.014662 O\n0.000000 0.437441 0.662294 O\n0.000000 0.086479 0.350093 O\n0.500000 0.594714 0.817047 O\n0.500000 0.249998 0.486273 O\n0.500000 0.909253 0.157009 O\n0.000000 0.229253 0.004565 O\n0.000000 0.916880 0.651068 O\n0.000000 0.582540 0.321704 O\n",
"nsites": 24,
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"formula_full": "Li7 Mn4 Co1 O12",
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"formula_anonymous": "AB4C7D12",
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},
{
"id": "jvasp-11292",
"created_at": "2022-09-04T14:37:11.821655Z",
"updated_at": "2022-09-04T14:37:11.821675Z",
"structure_string": "Co4 O8\n1.0\n2.847378 0.000093 0.000073\n1.423484 6.715071 -0.000819\n1.423501 0.026503 6.701476\nCo O\n4 8\ndirect\n0.831063 0.816418 0.516397 Co\n0.646978 0.516384 0.184599 Co\n0.347076 0.483252 0.817538 Co\n0.162993 0.183218 0.485736 Co\n0.539974 0.294524 0.620472 O\n0.836914 0.616989 0.704129 O\n0.157136 0.382650 0.298012 O\n0.454082 0.705111 0.381663 O\n0.199756 0.951310 0.644121 O\n0.152192 0.642940 0.047621 O\n0.794301 0.048327 0.358008 O\n0.841862 0.356695 0.954518 O\n",
"nsites": 12,
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"elements": [
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],
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"density_atomic": 0.09365267766030899,
"volume": 128.13301551852723,
"volume_molar": 6.430292128798628,
"formula_full": "Co4 O8",
"formula_reduced": "CoO2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.0466193000000006,
"spacegroup": 87
},
{
"id": "jvasp-112919",
"created_at": "2022-09-04T14:38:44.734565Z",
"updated_at": "2022-09-04T14:38:44.734588Z",
"structure_string": "Li7 Mn4 Co1 O12\n1.0\n2.845111 0.049093 0.049976\n-0.224527 14.283679 -0.244579\n-0.089562 0.037850 4.929855\nLi Mn Co O\n7 4 1 12\ndirect\n0.000029 0.168330 0.665056 Li\n0.500943 0.511245 0.499379 Li\n-0.001045 0.811281 0.307619 Li\n0.500017 0.169837 0.171496 Li\n0.001116 0.520282 0.025717 Li\n0.499094 0.819319 0.830507 Li\n0.500029 0.665838 0.165775 Li\n0.000476 0.000482 -0.003029 Mn\n0.000036 0.665612 0.665807 Mn\n0.499448 0.334354 0.838369 Mn\n0.500487 0.000419 0.496626 Mn\n0.999460 0.333439 0.336985 Co\n0.500002 0.077399 0.832338 O\n-0.001011 0.403967 0.671725 O\n0.499530 0.740836 0.509412 O\n-0.000008 0.077560 0.332034 O\n0.498963 0.403717 0.168773 O\n-0.000257 0.744658 0.970265 O\n0.499926 0.259363 0.506323 O\n0.000309 0.586932 0.361479 O\n0.500992 0.927570 0.162141 O\n-0.000065 0.258356 0.001942 O\n0.500539 0.590578 0.822083 O\n0.000980 0.928627 0.661171 O\n",
"nsites": 24,
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"elements": [
"Li",
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],
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"density": 4.300808184063203,
"density_atomic": 0.11970795742336052,
"volume": 200.48792508522493,
"volume_molar": 5.0306937730981645,
"formula_full": "Li7 Mn4 Co1 O12",
"formula_reduced": "Li7Mn4CoO12",
"formula_anonymous": "AB4C7D12",
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"spacegroup": 6
},
{
"id": "jvasp-112918",
"created_at": "2022-09-04T14:38:43.181898Z",
"updated_at": "2022-09-04T14:38:43.181915Z",
"structure_string": "Li7 Mn2 Co3 O12\n1.0\n5.066876 -0.005806 2.498686\n0.597610 6.037513 1.984208\n0.005388 -0.007348 6.403467\nLi Mn Co O\n7 2 3 12\ndirect\n0.582564 0.331184 0.169105 Li\n0.731124 0.018187 0.507587 Li\n0.922650 0.650661 0.837654 Li\n0.084022 0.335077 0.164318 Li\n0.257047 0.009539 0.495888 Li\n0.416278 0.655841 0.824318 Li\n0.340377 0.333268 0.666998 Li\n0.003886 0.008264 0.992682 Mn\n0.169880 0.657781 0.340021 Mn\n0.665041 0.664283 0.335423 Co\n0.833179 0.333048 0.666849 Co\n0.497186 0.002379 0.999141 Co\n0.955838 0.315689 0.913881 O\n0.861433 0.013148 0.766753 O\n0.030268 0.681163 0.097191 O\n0.194673 0.351433 0.418650 O\n0.360814 0.993099 0.773909 O\n0.529105 0.678397 0.103225 O\n0.714179 0.350285 0.425040 O\n0.296385 0.673198 0.558779 O\n0.480857 0.315886 0.908814 O\n0.637727 0.986489 0.233278 O\n0.804034 0.653323 0.567348 O\n0.131469 0.988359 0.233162 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
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"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.469390413462589,
"density_atomic": 0.12251502112398624,
"volume": 195.89434650394253,
"volume_molar": 4.9154305363956485,
"formula_full": "Li7 Mn2 Co3 O12",
"formula_reduced": "Li7Mn2(CoO4)3",
"formula_anonymous": "A2B3C7D12",
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"spacegroup": 1
},
{
"id": "jvasp-112917",
"created_at": "2022-09-04T14:38:43.137178Z",
"updated_at": "2022-09-04T14:38:43.137206Z",
"structure_string": "Li5 Mn3 O8\n1.0\n4.805850 -0.015949 -1.432286\n-0.832904 4.848438 0.000961\n-0.008234 0.002533 5.685919\nLi Mn O\n5 3 8\ndirect\n0.494355 0.241315 0.868086 Li\n0.505646 0.758685 0.131913 Li\n0.495640 0.761523 0.618296 Li\n0.504362 0.238476 0.381704 Li\n0.000000 -0.000000 0.500001 Li\n0.000000 -0.000000 -0.000000 Mn\n0.000504 0.499567 0.256739 Mn\n-0.000503 0.500433 0.743261 Mn\n0.225471 0.861162 0.820350 O\n0.222597 0.366937 0.055572 O\n0.231113 0.392944 0.559169 O\n0.228234 0.862702 0.294278 O\n0.777405 0.633062 0.944428 O\n0.774530 0.138838 0.179650 O\n0.771767 0.137297 0.705722 O\n0.768889 0.607056 0.440831 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
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],
"chemical_system": "Li-Mn-O",
"density": 4.108961348022919,
"density_atomic": 0.12088505926921149,
"volume": 132.35713409684433,
"volume_molar": 4.9817080757587,
"formula_full": "Li5 Mn3 O8",
"formula_reduced": "Li5Mn3O8",
"formula_anonymous": "A3B5C8",
"energy_above_hull": 2.6308443577586207,
"spacegroup": 2
},
{
"id": "jvasp-112916",
"created_at": "2022-09-04T14:38:45.213340Z",
"updated_at": "2022-09-04T14:38:45.213376Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n2.817033 0.061830 0.367452\n1.108212 7.375255 1.277391\n-0.009234 -0.114600 11.097054\nLi Mn Co O\n8 2 4 14\ndirect\n0.772284 0.362865 0.093254 Li\n0.937015 0.775271 0.350376 Li\n0.069719 0.217033 0.643288 Li\n0.218085 0.633685 0.930110 Li\n0.352362 0.075098 0.220528 Li\n0.504148 0.510271 0.481315 Li\n0.648081 0.924265 0.779177 Li\n0.137456 0.439620 0.285826 Li\n0.001029 0.998168 -0.000269 Mn\n0.711999 0.151217 0.424626 Mn\n0.573889 0.709052 0.143338 Co\n0.858418 0.569056 0.714087 Co\n0.286069 0.856073 0.571730 Co\n0.428097 0.285357 0.858488 Co\n0.881658 0.689283 0.547725 O\n0.402380 0.166319 0.028511 O\n0.535402 0.619785 0.309445 O\n0.688431 0.023258 0.599453 O\n0.833925 0.449946 0.881915 O\n0.974927 0.885218 0.164671 O\n0.114817 0.304966 0.464884 O\n0.262160 0.736413 0.738900 O\n0.168829 0.554543 0.108322 O\n0.309272 0.976194 0.405527 O\n0.453050 0.401675 0.692525 O\n0.599686 0.833884 0.967069 O\n0.750055 0.235843 0.263942 O\n0.026753 0.115636 0.831234 O\n",
"nsites": 28,
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"elements": [
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"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.509619672236252,
"density_atomic": 0.12164088520722656,
"volume": 230.185763218505,
"volume_molar": 4.950753810892384,
"formula_full": "Li8 Mn2 Co4 O14",
"formula_reduced": "Li4MnCo2O7",
"formula_anonymous": "AB2C4D7",
"energy_above_hull": 2.555177395812808,
"spacegroup": 8
},
{
"id": "jvasp-112915",
"created_at": "2022-09-04T14:38:44.373038Z",
"updated_at": "2022-09-04T14:38:44.373064Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n10.237751 -0.091924 0.848062\n-9.174160 4.544754 0.848062\n-0.027466 -0.114989 4.965373\nLi Mn Co O\n8 2 4 14\ndirect\n0.784871 0.215129 0.499999 Li\n0.215128 0.784870 0.500000 Li\n0.640431 0.359569 0.499999 Li\n0.064561 0.935437 0.500000 Li\n0.500000 0.500000 0.500000 Li\n0.935438 0.064563 0.499999 Li\n0.359568 0.640431 0.500000 Li\n0.000000 0.000000 0.000000 Li\n0.860197 0.139804 -0.000000 Mn\n0.139803 0.860196 -0.000000 Mn\n0.570498 0.429502 -0.000000 Co\n0.429502 0.570498 -0.000000 Co\n0.285806 0.714193 -0.000000 Co\n0.714193 0.285807 -0.000000 Co\n0.168920 0.321986 0.770569 O\n0.545916 0.976267 0.219959 O\n0.976267 0.545917 0.219959 O\n0.401621 0.114294 0.221338 O\n0.831079 0.678014 0.229430 O\n0.279226 0.279226 0.226365 O\n0.678014 0.831079 0.229430 O\n0.114294 0.401621 0.221338 O\n0.023732 0.454083 0.780040 O\n0.454083 0.023733 0.780040 O\n0.885706 0.598379 0.778661 O\n0.321985 0.168921 0.770569 O\n0.720773 0.720774 0.773634 O\n0.598378 0.885705 0.778661 O\n",
"nsites": 28,
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"elements": [
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],
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"density_atomic": 0.12235475853602067,
"volume": 228.842754748741,
"volume_molar": 4.921868860725272,
"formula_full": "Li8 Mn2 Co4 O14",
"formula_reduced": "Li4MnCo2O7",
"formula_anonymous": "AB2C4D7",
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"spacegroup": 12
},
{
"id": "jvasp-112914",
"created_at": "2022-09-04T14:38:45.142182Z",
"updated_at": "2022-09-04T14:38:45.142216Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n4.772613 0.021218 1.043509\n0.680186 6.337507 0.441842\n0.037805 0.017894 7.570748\nLi Mn Co O\n8 2 4 14\ndirect\n0.715454 0.580652 0.071015 Li\n0.423839 0.143178 0.657272 Li\n0.148468 0.727947 0.204463 Li\n0.576161 0.856822 0.342729 Li\n0.284545 0.419348 0.928985 Li\n-0.000000 -0.000000 0.500000 Li\n0.851531 0.272053 0.795537 Li\n0.500000 0.000000 0.000000 Li\n0.639405 0.718967 0.719857 Mn\n0.360594 0.281033 0.280143 Mn\n0.213901 0.571835 0.571452 Co\n0.929533 0.141337 0.141314 Co\n0.070466 0.858663 0.858686 Co\n0.786098 0.428165 0.428549 Co\n0.758308 0.979439 0.747930 O\n0.963327 0.587146 0.807454 O\n0.676394 0.159859 0.381143 O\n0.392289 0.714611 0.945769 O\n0.840635 0.870372 0.096683 O\n0.537633 0.444037 0.663733 O\n0.241691 0.020561 0.252070 O\n0.108765 0.305608 0.522834 O\n0.462366 0.555963 0.336267 O\n0.159364 0.129629 0.903317 O\n0.891235 0.694393 0.477166 O\n0.323606 0.840142 0.618857 O\n0.036672 0.412854 0.192546 O\n0.607710 0.285390 0.054231 O\n",
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],
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"density_atomic": 0.12248231339607696,
"volume": 228.60443458032222,
"volume_molar": 4.9167431550103995,
"formula_full": "Li8 Mn2 Co4 O14",
"formula_reduced": "Li4MnCo2O7",
"formula_anonymous": "AB2C4D7",
"energy_above_hull": 2.5534452529556653,
"spacegroup": 2
},
{
"id": "jvasp-112913",
"created_at": "2022-09-04T14:38:45.087825Z",
"updated_at": "2022-09-04T14:38:45.087851Z",
"structure_string": "Li7 Co5 O12\n1.0\n4.653413 -0.005650 -1.613927\n-0.354623 5.559015 -1.044861\n-0.001329 -0.040889 7.481696\nLi Co O\n7 5 12\ndirect\n0.500401 0.261086 0.999849 Li\n0.514455 0.418439 0.675616 Li\n0.499599 0.738915 0.000152 Li\n0.508380 0.917542 0.669144 Li\n0.491620 0.082459 0.330856 Li\n0.485545 0.581562 0.324384 Li\n0.000000 0.500000 0.000000 Li\n0.002712 0.665615 0.670201 Co\n0.997287 0.334386 0.329799 Co\n0.997019 0.830184 0.329446 Co\n0.000000 0.000000 0.000000 Co\n0.002981 0.169817 0.670555 Co\n0.223558 0.278157 0.168033 O\n0.779061 0.043055 0.171809 O\n0.776098 0.194233 0.832305 O\n0.768563 0.546139 0.185752 O\n0.776442 0.721843 0.831967 O\n0.785770 0.877618 0.508597 O\n0.783604 0.376963 0.509603 O\n0.231437 0.453862 0.814248 O\n0.216396 0.623038 0.490397 O\n0.220939 0.956946 0.828191 O\n0.214230 0.122383 0.491403 O\n0.223902 0.805768 0.167695 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
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],
"chemical_system": "Co-Li-O",
"density": 4.598246489757571,
"density_atomic": 0.12416555794047551,
"volume": 193.29031655868295,
"volume_molar": 4.850089557755615,
"formula_full": "Li7 Co5 O12",
"formula_reduced": "Li7Co5O12",
"formula_anonymous": "A5B7C12",
"energy_above_hull": 2.5957181875,
"spacegroup": 2
},
{
"id": "jvasp-112912",
"created_at": "2022-09-04T14:38:41.784085Z",
"updated_at": "2022-09-04T14:38:41.784112Z",
"structure_string": "Li8 Co6 O14\n1.0\n10.186223 -0.027924 0.817544\n-9.125665 4.525721 0.817544\n-0.003092 -0.013115 4.925349\nLi Co O\n8 6 14\ndirect\n0.858757 0.141245 0.499999 Li\n0.286620 0.713382 0.499999 Li\n0.713382 0.286620 0.499999 Li\n0.141245 0.858756 0.499999 Li\n0.567466 0.432536 0.499999 Li\n0.000001 0.000001 0.500000 Li\n0.432536 0.567465 0.499999 Li\n0.500000 0.500000 -0.000001 Li\n0.213991 0.786009 -0.000001 Co\n0.786010 0.213991 -0.000001 Co\n0.641295 0.358706 -0.000001 Co\n0.070195 0.929805 -0.000001 Co\n0.929806 0.070195 -0.000001 Co\n0.358706 0.641295 -0.000001 Co\n0.826948 0.674229 0.775362 O\n0.383457 0.097621 0.781406 O\n0.954482 0.524999 0.781937 O\n0.524998 0.954481 0.781937 O\n0.097621 0.383456 0.781406 O\n0.173054 0.325773 0.224636 O\n0.780394 0.780394 0.229032 O\n0.902381 0.616545 0.218592 O\n0.475004 0.045521 0.218061 O\n0.045521 0.475003 0.218061 O\n0.616545 0.902381 0.218592 O\n0.219608 0.219608 0.770966 O\n0.325773 0.173054 0.224636 O\n0.674229 0.826948 0.775362 O\n",
"nsites": 28,
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"elements": [
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],
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"density": 4.651397165469215,
"density_atomic": 0.12388170345706556,
"volume": 226.02207766463374,
"volume_molar": 4.861202737728845,
"formula_full": "Li8 Co6 O14",
"formula_reduced": "Li4Co3O7",
"formula_anonymous": "A3B4C7",
"energy_above_hull": 2.480327657142857,
"spacegroup": 12
},
{
"id": "jvasp-112910",
"created_at": "2022-09-04T14:38:43.126576Z",
"updated_at": "2022-09-04T14:38:43.126603Z",
"structure_string": "Li7 Co5 O12\n1.0\n2.832241 -0.018899 0.029892\n0.030116 4.927708 0.160825\n-0.152303 -0.308765 13.936524\nLi Co O\n7 5 12\ndirect\n0.000000 0.000000 0.000000 Li\n0.500043 0.830717 0.161823 Li\n-0.000108 0.671753 0.330102 Li\n0.500001 0.500001 0.500000 Li\n0.000110 0.328249 0.669898 Li\n0.499959 0.169285 0.838176 Li\n0.500001 0.500000 -0.000000 Li\n0.000000 0.000000 0.500000 Co\n0.499893 0.170752 0.333564 Co\n0.500109 0.829249 0.666436 Co\n0.000176 0.659435 0.837341 Co\n-0.000173 0.340566 0.162658 Co\n0.500067 0.526511 0.752676 O\n0.500282 0.816666 0.906280 O\n-0.000080 0.648366 0.091068 O\n0.499935 0.473490 0.247324 O\n-0.000003 0.308984 0.413972 O\n0.500137 0.137135 0.579572 O\n0.000221 0.964848 0.743753 O\n0.499720 0.183336 0.093719 O\n-0.000219 0.035153 0.256246 O\n0.499865 0.862866 0.420427 O\n0.000005 0.691017 0.586027 O\n0.000082 0.351635 0.908932 O\n",
"nsites": 24,
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"elements": [
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],
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"volume": 194.67568497872517,
"volume_molar": 4.884851572880419,
"formula_full": "Li7 Co5 O12",
"formula_reduced": "Li7Co5O12",
"formula_anonymous": "A5B7C12",
"energy_above_hull": 2.5969173541666666,
"spacegroup": 10
},
{
"id": "jvasp-112909",
"created_at": "2022-09-04T14:38:43.065565Z",
"updated_at": "2022-09-04T14:38:43.065591Z",
"structure_string": "Li4 Mn3 Co1 O8\n1.0\n4.842628 0.035868 1.109265\n-0.085750 5.592185 2.192526\n-0.023895 0.043129 5.266613\nLi Mn Co O\n4 3 1 8\ndirect\n0.253210 0.889547 0.515208 Li\n0.746791 0.110454 0.484791 Li\n0.251201 0.373316 0.507164 Li\n0.748801 0.626685 0.492835 Li\n-0.000000 0.499999 0.000001 Mn\n0.499203 0.246481 -0.000658 Mn\n0.500796 0.753523 0.000655 Mn\n-0.000000 0.000001 -0.000001 Co\n0.122559 0.679083 0.204156 O\n0.877442 0.320918 0.795842 O\n0.630556 0.954470 0.237046 O\n0.369447 0.045528 0.762956 O\n0.133401 0.203175 0.233934 O\n0.866601 0.796828 0.766064 O\n0.640939 0.458254 0.240445 O\n0.359064 0.541748 0.759554 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.427791845644205,
"density_atomic": 0.11241876975203301,
"volume": 142.32498750245978,
"volume_molar": 5.356881927531585,
"formula_full": "Li4 Mn3 Co1 O8",
"formula_reduced": "Li4Mn3CoO8",
"formula_anonymous": "AB3C4D8",
"energy_above_hull": 2.84812566400862,
"spacegroup": 2
}
]
}