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{
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"results": [
{
"id": "mp-1173979",
"created_at": "2022-09-04T14:44:10.980667Z",
"structure_string": "Li5 Mn2 Co1 O8\n1.0\n4.786295 0.111089 1.814643\n-1.110806 4.962263 2.625929\n-0.237055 0.150762 5.851246\nLi Mn Co O\n5 2 1 8\ndirect\n0.497425 0.252989 0.994023 Li\n0.499998 0.257019 0.500001 Li\n0.500002 0.742981 0.499999 Li\n0.502575 0.747011 0.005977 Li\n0.000000 0.500000 0.500000 Li\n0.000001 0.000001 0.000002 Mn\n0.000002 0.499999 0.999997 Mn\n0.000000 0.000000 0.500000 Co\n0.230485 0.363763 0.772469 O\n0.212144 0.361822 0.246523 O\n0.212142 0.891655 0.246521 O\n0.239341 0.857477 0.785048 O\n0.760659 0.142523 0.214952 O\n0.787857 0.108345 0.753479 O\n0.787856 0.638178 0.753477 O\n0.769515 0.636237 0.227531 O\n",
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],
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"volume": 139.5608515371725,
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"formula_full": "Li5 Mn2 Co1 O8",
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"spacegroup": 12
},
{
"id": "mp-768929",
"created_at": "2022-09-04T14:41:03.977023Z",
"structure_string": "Li24 Mn7 Cr5 O36\n1.0\n5.017486 0.000000 0.000000\n-0.830597 9.709924 0.000000\n-2.467045 -1.866377 12.891285\nLi Mn Cr O\n24 7 5 36\ndirect\n0.171318 0.999886 0.832305 Li\n0.048737 0.999982 0.614242 Li\n0.000164 0.749901 0.250431 Li\n0.336566 0.749429 0.917133 Li\n0.047411 0.499441 0.112151 Li\n0.383918 0.499709 0.778624 Li\n0.163799 0.500406 0.333260 Li\n0.503192 0.500451 0.999943 Li\n0.284680 0.500968 0.555193 Li\n0.332791 0.250020 0.416302 Li\n0.501709 0.999589 0.499923 Li\n0.283299 0.999767 0.053528 Li\n0.615590 0.998654 0.719342 Li\n0.384263 0.999217 0.280073 Li\n0.714473 0.001566 0.947259 Li\n0.665885 0.750649 0.584200 Li\n0.714989 0.499429 0.444177 Li\n0.834816 0.499236 0.666718 Li\n0.620547 0.501135 0.222011 Li\n0.945977 0.499752 0.887940 Li\n0.666756 0.249970 0.083018 Li\n0.832298 0.000243 0.166601 Li\n0.997907 0.250134 0.748589 Li\n0.950364 0.000229 0.386441 Li\n0.226120 0.752786 0.694581 Mn\n0.555366 0.250840 0.861331 Mn\n0.443136 0.750206 0.138990 Mn\n0.553870 0.748410 0.359789 Mn\n0.779860 0.250963 0.306198 Mn\n0.887296 0.249167 0.527637 Mn\n0.887621 0.748822 0.028697 Mn\n0.106241 0.247752 0.969988 Cr\n0.104519 0.750205 0.473129 Cr\n0.229283 0.251023 0.194923 Cr\n0.439705 0.249871 0.637234 Cr\n0.783788 0.749722 0.807439 Cr\n0.995199 0.861322 0.928073 O\n0.064591 0.636968 0.784054 O\n0.002395 0.361776 0.429242 O\n0.138137 0.362989 0.642362 O\n0.263798 0.363241 0.883196 O\n0.338214 0.863510 0.597581 O\n0.068573 0.136397 0.284011 O\n0.189005 0.138221 0.523945 O\n0.408727 0.134185 0.950597 O\n0.144105 0.861578 0.143183 O\n0.265738 0.863874 0.382339 O\n0.478083 0.861243 0.809372 O\n0.337197 0.138730 0.737432 O\n0.189113 0.638557 0.023429 O\n0.402359 0.636259 0.450901 O\n0.522278 0.638359 0.690643 O\n0.331366 0.638202 0.237362 O\n0.665098 0.637161 0.907029 O\n0.328221 0.362262 0.096715 O\n0.668251 0.362547 0.762820 O\n0.479049 0.361946 0.310782 O\n0.597814 0.363645 0.550114 O\n0.804290 0.362741 0.976041 O\n0.667251 0.861460 0.261873 O\n0.526360 0.137876 0.191559 O\n0.741303 0.134619 0.617522 O\n0.857349 0.138504 0.857263 O\n0.596214 0.863530 0.048190 O\n0.813122 0.861445 0.474553 O\n0.934526 0.865336 0.713392 O\n0.664367 0.138296 0.404655 O\n0.736437 0.636523 0.119075 O\n0.850735 0.636771 0.355203 O\n0.003346 0.638834 0.570824 O\n0.926522 0.364777 0.215821 O\n0.002614 0.136788 0.069516 O\n",
"nsites": 72,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Cr",
"O"
],
"chemical_system": "Cr-Li-Mn-O",
"density": 3.6674275611060367,
"density_atomic": 0.11463950086695823,
"volume": 628.0557700923493,
"volume_molar": 5.253111461981009,
"formula_full": "Li24 Mn7 Cr5 O36",
"formula_reduced": "Li24Mn7Cr5O36",
"formula_anonymous": "A5B7C24D36",
"energy": -495.52122871,
"energy_per_atom": -6.882239287638889,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:35:11.846000Z",
"spacegroup": 1
},
{
"id": "mp-556532",
"created_at": "2022-09-04T14:47:59.690674Z",
"structure_string": "Ca2 Al2 B6 O14\n1.0\n4.018143 -5.904852 0.000000\n4.018143 5.904852 0.000000\n0.000000 0.000000 4.411938\nCa Al B O\n2 2 6 14\ndirect\n0.000000 0.500000 0.000000 Ca\n0.500000 0.000000 0.000000 Ca\n0.500000 0.500000 0.000000 Al\n0.000000 0.000000 0.000000 Al\n0.863261 0.136739 0.459039 B\n0.363261 0.636739 0.540961 B\n0.250000 0.250000 0.500000 B\n0.636739 0.363261 0.459039 B\n0.136739 0.863261 0.540961 B\n0.750000 0.750000 0.500000 B\n0.131469 0.868531 0.223650 O\n0.631469 0.368531 0.776350 O\n0.280542 0.426671 0.699147 O\n0.573329 0.719458 0.699147 O\n0.219458 0.073329 0.699147 O\n0.719458 0.573329 0.300853 O\n0.926671 0.780542 0.699147 O\n0.868531 0.131469 0.776350 O\n0.426671 0.280542 0.300853 O\n0.750000 0.250000 0.329830 O\n0.250000 0.750000 0.670170 O\n0.780542 0.926671 0.300853 O\n0.073329 0.219458 0.300853 O\n0.368531 0.631469 0.223650 O\n",
"nsites": 24,
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"elements": [
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"Al",
"B",
"O"
],
"chemical_system": "Al-B-Ca-O",
"density": 3.354839260177406,
"density_atomic": 0.11463505397613126,
"volume": 209.3600444851464,
"volume_molar": 5.2533152392058895,
"formula_full": "Ca2 Al2 B6 O14",
"formula_reduced": "CaAlB3O7",
"formula_anonymous": "ABC3D7",
"energy": -196.03403422,
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"updated_at": "2021-11-28T01:38:30.227000Z",
"spacegroup": 67
},
{
"id": "mp-1174383",
"created_at": "2022-09-04T14:44:06.626334Z",
"structure_string": "Li5 Mn2 Co1 O8\n1.0\n4.843990 -0.102796 1.100827\n1.188465 4.992672 2.742468\n0.292068 0.131671 5.876541\nLi Mn Co O\n5 2 1 8\ndirect\n0.496957 0.252736 0.250002 Li\n0.999922 0.505167 0.994045 Li\n0.003587 0.994149 0.502239 Li\n0.502595 0.745867 0.751205 Li\n0.999593 0.502324 0.500398 Li\n0.000624 0.998939 0.998114 Mn\n0.499120 0.259293 0.741200 Mn\n0.492607 0.744736 0.258159 Co\n0.748718 0.348220 0.877645 O\n0.268840 0.604178 0.636816 O\n0.256434 0.113991 0.106359 O\n0.755312 0.875894 0.337181 O\n0.249618 0.121723 0.656516 O\n0.713829 0.381813 0.396398 O\n0.758869 0.899572 0.867337 O\n0.253376 0.651397 0.126385 O\n",
"nsites": 16,
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"elements": [
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"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
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"density_atomic": 0.11463421575778865,
"volume": 139.57438356630362,
"volume_molar": 5.253353652040696,
"formula_full": "Li5 Mn2 Co1 O8",
"formula_reduced": "Li5Mn2CoO8",
"formula_anonymous": "AB2C5D8",
"energy": -107.01415112,
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"spacegroup": 1
},
{
"id": "mp-1392819",
"created_at": "2022-09-04T14:41:49.810301Z",
"structure_string": "Li5 Mn2 Co1 O8\n1.0\n-4.968564 0.000000 0.000000\n1.662989 5.576273 0.000000\n-0.078972 -2.978387 -5.037683\nLi Mn Co O\n5 2 1 8\ndirect\n0.496957 0.747264 0.749998 Li\n0.999922 0.494833 0.005955 Li\n0.003587 0.005851 0.497761 Li\n0.502595 0.254133 0.248795 Li\n0.999593 0.497676 0.499602 Li\n0.000624 0.001061 0.001886 Mn\n0.499120 0.740707 0.258800 Mn\n0.492607 0.255264 0.741841 Co\n0.748718 0.651780 0.122355 O\n0.268840 0.395822 0.363184 O\n0.256434 0.886009 0.893641 O\n0.755312 0.124106 0.662819 O\n0.249618 0.878277 0.343484 O\n0.713829 0.618187 0.603602 O\n0.758869 0.100428 0.132663 O\n0.253376 0.348603 0.873615 O\n",
"nsites": 16,
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"elements": [
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],
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"density": 3.944021780447309,
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"volume": 139.57439421861253,
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"formula_full": "Li5 Mn2 Co1 O8",
"formula_reduced": "Li5Mn2CoO8",
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"energy": -86.01743123,
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"spacegroup": 1
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{
"id": "mp-1238849",
"created_at": "2022-09-04T14:39:15.832664Z",
"structure_string": "B2 Mo2 C2\n1.0\n1.415236 -2.451261 0.000000\n1.415236 2.451261 0.000000\n0.000000 0.000000 7.543974\nB Mo C\n2 2 2\ndirect\n0.333333 0.666667 0.750000 B\n0.666667 0.333333 0.250000 B\n0.000000 0.000000 0.500000 Mo\n0.000000 0.000000 0.000000 Mo\n0.333333 0.666667 0.250000 C\n0.666667 0.333333 0.750000 C\n",
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"updated_at": "2021-11-28T01:34:43.064000Z",
"spacegroup": 194
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{
"id": "mp-866271",
"created_at": "2022-09-04T14:40:54.902307Z",
"structure_string": "Li3 Ni3 O6\n1.0\n2.489371 4.377134 0.017963\n0.000795 -8.754723 0.000840\n1.625454 0.000312 -4.790624\nLi Ni O\n3 3 6\ndirect\n0.999173 0.999544 0.000181 Li\n0.000519 0.333486 0.000027 Li\n0.000495 0.667064 0.000032 Li\n0.999279 0.165805 0.499542 Ni\n0.000412 0.833990 0.500045 Ni\n0.000377 0.500268 0.500033 Ni\n0.458861 0.229355 0.269297 O\n0.511503 0.928191 0.277024 O\n0.511973 0.583661 0.276917 O\n0.489117 0.071845 0.722460 O\n0.489414 0.417508 0.722438 O\n0.539014 0.769352 0.731889 O\n",
"nsites": 12,
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"elements": [
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"Ni",
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],
"chemical_system": "Li-Ni-O",
"density": 4.64609185960856,
"density_atomic": 0.11463075745595555,
"volume": 104.68394579535729,
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"formula_full": "Li3 Ni3 O6",
"formula_reduced": "LiNiO2",
"formula_anonymous": "ABC2",
"energy": -70.63191312000001,
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"spacegroup": 12
},
{
"id": "mp-768649",
"created_at": "2022-09-04T14:43:01.893340Z",
"structure_string": "Li16 Mn4 Cr4 O24\n1.0\n4.323127 2.522549 0.000000\n-4.323127 2.522549 0.000000\n0.000000 1.887069 19.199128\nLi Mn Cr O\n16 4 4 24\ndirect\n0.499605 0.749697 0.124985 Li\n0.376640 0.623360 0.500000 Li\n0.408669 0.338226 0.374956 Li\n0.001042 0.250463 0.624825 Li\n0.872328 0.127672 0.000000 Li\n0.749537 0.998958 0.375175 Li\n0.902715 0.830496 0.874726 Li\n0.250303 0.500395 0.875015 Li\n0.335856 0.909267 0.624605 Li\n0.169504 0.097285 0.125274 Li\n0.830756 0.402932 0.124689 Li\n0.661774 0.591331 0.625044 Li\n0.090733 0.664144 0.375395 Li\n0.127886 0.372917 0.250052 Li\n0.597068 0.169244 0.875311 Li\n0.627083 0.872114 0.749948 Li\n0.457654 0.042624 0.250065 Mn\n0.957376 0.542346 0.749935 Mn\n0.707521 0.292479 0.500000 Mn\n0.542410 0.457590 0.000000 Mn\n0.796451 0.704572 0.249995 Cr\n0.295428 0.203549 0.750005 Cr\n0.204006 0.795994 0.000000 Cr\n0.045342 0.954658 0.500000 Cr\n0.463816 0.714907 0.307048 O\n0.784980 0.035024 0.193097 O\n0.964976 0.215020 0.806903 O\n0.360552 0.252456 0.556554 O\n0.497193 0.389058 0.193375 O\n0.285093 0.536184 0.692952 O\n0.393500 0.004613 0.444316 O\n0.857191 0.745445 0.055778 O\n0.997310 0.888694 0.693187 O\n0.747544 0.639448 0.443446 O\n0.745168 0.357192 0.305707 O\n0.888982 0.497128 0.943400 O\n0.111306 0.002690 0.306813 O\n0.254555 0.142809 0.944222 O\n0.245494 0.856926 0.805769 O\n0.995387 0.606500 0.555684 O\n0.143074 0.754506 0.194231 O\n0.610942 0.502807 0.806625 O\n0.714020 0.964867 0.556987 O\n0.502872 0.111018 0.056600 O\n0.642808 0.254832 0.694293 O\n0.035133 0.285980 0.443013 O\n0.214747 0.464330 0.056935 O\n0.535670 0.785253 0.943065 O\n",
"nsites": 48,
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"elements": [
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"Cr",
"O"
],
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"density": 3.6592940490433756,
"density_atomic": 0.11462837417253187,
"volume": 418.7444892811027,
"volume_molar": 5.253621368593984,
"formula_full": "Li16 Mn4 Cr4 O24",
"formula_reduced": "Li4MnCrO6",
"formula_anonymous": "ABC4D6",
"energy": -330.88592078,
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"updated_at": "2021-11-28T01:36:08.297000Z",
"spacegroup": 5
},
{
"id": "mp-1174786",
"created_at": "2022-09-04T14:47:56.609609Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n9.970329 2.549567 0.000000\n-9.970329 2.549567 0.000000\n0.000000 1.844973 4.804913\nLi Mn Co O\n8 2 4 14\ndirect\n0.929965 0.070035 0.500000 Li\n0.358009 0.641991 0.500000 Li\n0.787513 0.212487 0.500000 Li\n0.213157 0.786843 0.500000 Li\n0.637905 0.362095 0.500000 Li\n0.072245 0.927755 0.500000 Li\n0.502444 0.497556 0.500000 Li\n0.570967 0.429033 0.000000 Li\n0.000854 0.999146 0.000000 Mn\n0.712721 0.287279 0.000000 Mn\n0.428651 0.571349 0.000000 Co\n0.857510 0.142490 0.000000 Co\n0.286410 0.713590 0.000000 Co\n0.142280 0.857720 0.000000 Co\n0.701827 0.845525 0.231314 O\n0.130739 0.418533 0.224296 O\n0.561286 0.988923 0.230171 O\n0.967934 0.538956 0.213763 O\n0.394915 0.098916 0.221735 O\n0.850790 0.708879 0.231584 O\n0.243754 0.252142 0.215415 O\n0.154475 0.298173 0.768686 O\n0.581467 0.869261 0.775704 O\n0.011077 0.438714 0.769829 O\n0.461044 0.032066 0.786237 O\n0.901084 0.605085 0.778265 O\n0.291121 0.149210 0.768416 O\n0.747858 0.756246 0.784585 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
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"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.249393340117565,
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"volume": 244.28198639059548,
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