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{
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"results": [
{
"id": "mp-1174674",
"created_at": "2022-09-04T14:42:57.216154Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n5.130862 0.000000 0.000000\n-1.894585 5.564580 0.000000\n-0.685351 -0.495068 8.561508\nLi Mn Co O\n8 2 4 14\ndirect\n0.859281 0.216092 0.711218 Li\n0.714190 0.925629 0.435279 Li\n0.282124 0.065759 0.575298 Li\n0.138314 0.781125 0.290171 Li\n0.572571 0.639083 0.144003 Li\n0.002883 0.503708 0.994516 Li\n0.431112 0.369122 0.848389 Li\n0.857354 0.713569 0.713232 Li\n0.998303 0.996058 0.995410 Mn\n0.572240 0.144846 0.144043 Mn\n0.715745 0.431298 0.432518 Co\n0.426905 0.853889 0.853427 Co\n0.285986 0.571451 0.571683 Co\n0.143250 0.286868 0.287981 Co\n0.158101 0.024610 0.802997 O\n0.007153 0.714885 0.504730 O\n0.541296 0.871904 0.647332 O\n0.402831 0.594262 0.362769 O\n0.838284 0.451045 0.222219 O\n0.257501 0.310834 0.077599 O\n0.721595 0.155635 0.935058 O\n0.556180 0.413240 0.625049 O\n0.450301 0.125905 0.353140 O\n0.025211 0.262455 0.495770 O\n0.884285 0.976887 0.210624 O\n0.278089 0.843852 0.060671 O\n0.709232 0.705317 0.929892 O\n0.169682 0.550671 0.774979 O\n",
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"formula_full": "Li8 Mn2 Co4 O14",
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},
{
"id": "mp-1175397",
"created_at": "2022-09-04T14:46:03.576707Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n5.882095 0.000000 0.000000\n2.656731 5.869358 0.000000\n0.103279 0.133424 8.092107\nLi Mn Co O\n9 2 5 16\ndirect\n0.375033 0.254161 0.755900 Li\n0.748517 0.000672 0.999966 Li\n0.000000 0.500000 0.500000 Li\n0.624967 0.745839 0.244100 Li\n0.251483 0.999328 0.000034 Li\n0.872627 0.253569 0.756843 Li\n0.500000 0.500000 0.500000 Li\n0.127373 0.746431 0.243157 Li\n0.000000 0.500000 0.000000 Li\n0.634721 0.744346 0.753604 Mn\n0.365279 0.255654 0.246396 Mn\n0.748218 0.000780 0.500493 Co\n0.129703 0.745682 0.753305 Co\n0.500000 0.500000 0.000000 Co\n0.870297 0.254318 0.246695 Co\n0.251782 0.999220 0.499507 Co\n0.741165 0.992105 0.740337 O\n0.152848 0.730906 0.983223 O\n0.365818 0.238733 0.490418 O\n0.021711 0.469754 0.251242 O\n0.617971 0.742014 0.987026 O\n0.272479 0.973269 0.739441 O\n0.868407 0.234739 0.486540 O\n0.481986 0.495057 0.240394 O\n0.978289 0.530246 0.748758 O\n0.382029 0.257986 0.012974 O\n0.634182 0.761267 0.509582 O\n0.258835 0.007895 0.259663 O\n0.847152 0.269094 0.016777 O\n0.518014 0.504943 0.759606 O\n0.131593 0.765261 0.513460 O\n0.727521 0.026731 0.260559 O\n",
"nsites": 32,
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"elements": [
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"O"
],
"chemical_system": "Co-Li-Mn-O",
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"volume": 279.3728840048048,
"volume_molar": 5.257571350012772,
"formula_full": "Li9 Mn2 Co5 O16",
"formula_reduced": "Li9Mn2Co5O16",
"formula_anonymous": "A2B5C9D16",
"energy": -207.09857432,
"energy_per_atom": -6.4718304475,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:37:20.202000Z",
"spacegroup": 2
},
{
"id": "mp-765603",
"created_at": "2022-09-04T14:41:51.234879Z",
"structure_string": "Li4 Fe1 Co3 O8\n1.0\n5.102662 -2.891907 0.000000\n5.102662 2.891907 0.000000\n3.463690 0.000000 4.733196\nLi Fe Co O\n4 1 3 8\ndirect\n0.000000 0.000000 0.500000 Li\n0.000000 0.500000 0.000000 Li\n0.500000 0.500000 0.500000 Li\n0.500000 0.000000 0.000000 Li\n0.000000 0.000000 0.000000 Fe\n0.000000 0.500000 0.500000 Co\n0.500000 0.500000 0.000000 Co\n0.500000 0.000000 0.500000 Co\n0.760895 0.255800 0.760895 O\n0.742538 0.742538 0.742538 O\n0.760895 0.760895 0.255800 O\n0.255800 0.760895 0.760895 O\n0.744200 0.239105 0.239105 O\n0.239105 0.239105 0.744200 O\n0.257462 0.257462 0.257462 O\n0.239105 0.744200 0.239105 O\n",
"nsites": 16,
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"elements": [
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"Co",
"O"
],
"chemical_system": "Co-Fe-Li-O",
"density": 4.617075138055573,
"density_atomic": 0.11453926028234065,
"volume": 139.69009368979516,
"volume_molar": 5.25770879360959,
"formula_full": "Li4 Fe1 Co3 O8",
"formula_reduced": "Li4FeCo3O8",
"formula_anonymous": "AB3C4D8",
"energy": -103.47258288,
"energy_per_atom": -6.46703643,
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"updated_at": "2021-11-28T01:35:26.136000Z",
"spacegroup": 166
},
{
"id": "mp-11280",
"created_at": "2022-09-04T14:43:53.389695Z",
"structure_string": "Ti1 Be12\n1.0\n2.114393 -3.662236 0.000000\n2.114393 3.662236 0.000000\n0.000000 0.000000 7.329149\nTi Be\n1 12\ndirect\n0.000000 0.000000 0.000000 Ti\n0.333333 0.666667 0.000000 Be\n0.666667 0.333333 0.000000 Be\n0.333333 0.666667 0.500000 Be\n0.666667 0.333333 0.500000 Be\n0.000000 0.000000 0.347494 Be\n0.000000 0.000000 0.652506 Be\n0.500000 0.000000 0.240556 Be\n0.500000 0.500000 0.240556 Be\n0.000000 0.500000 0.240556 Be\n0.500000 0.000000 0.759444 Be\n0.500000 0.500000 0.759444 Be\n0.000000 0.500000 0.759444 Be\n",
"nsites": 13,
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"elements": [
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"Be"
],
"chemical_system": "Be-Ti",
"density": 2.282416043395455,
"density_atomic": 0.11453224298176999,
"volume": 113.50515506859671,
"volume_molar": 5.258030929297822,
"formula_full": "Ti1 Be12",
"formula_reduced": "TiBe12",
"formula_anonymous": "AB12",
"energy": -53.57616525000001,
"energy_per_atom": -4.121243480769231,
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"updated_at": "2021-11-28T01:36:11.373000Z",
"spacegroup": 191
},
{
"id": "mp-1227282",
"created_at": "2022-09-04T14:42:56.777877Z",
"structure_string": "Be4 Si1 Ni1\n1.0\n0.000000 2.969852 2.969852\n2.969852 0.000000 2.969852\n2.969852 2.969852 0.000000\nBe Si Ni\n4 1 1\ndirect\n0.624416 0.624416 0.126751 Be\n0.624416 0.126751 0.624416 Be\n0.126751 0.624416 0.624416 Be\n0.624416 0.624416 0.624416 Be\n0.000000 0.000000 0.000000 Si\n0.250000 0.250000 0.250000 Ni\n",
"nsites": 6,
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"elements": [
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"Si",
"Ni"
],
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"density": 3.89323613213789,
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"volume": 52.388313431122796,
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"formula_full": "Be4 Si1 Ni1",
"formula_reduced": "Be4SiNi",
"formula_anonymous": "ABC4",
"energy": -26.858620610000003,
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"updated_at": "2021-11-28T01:36:04.521000Z",
"spacegroup": 216
},
{
"id": "mp-1174953",
"created_at": "2022-09-04T14:45:55.801763Z",
"structure_string": "Li7 Mn2 Co3 O12\n1.0\n-5.858875 0.000000 0.000000\n-0.212340 -5.903571 0.000000\n1.612714 1.462837 6.059133\nLi Mn Co O\n7 2 3 12\ndirect\n0.165463 0.164226 0.659448 Li\n0.830337 0.335391 0.346425 Li\n0.504677 0.495458 0.994070 Li\n0.165534 0.665362 0.661091 Li\n0.828335 0.842415 0.349718 Li\n0.498987 0.999736 0.991054 Li\n0.665969 0.167322 0.665205 Li\n0.993025 0.998200 0.000863 Mn\n0.996069 0.496413 0.994733 Mn\n0.342103 0.335786 0.334233 Co\n0.665483 0.667210 0.664866 Co\n0.339012 0.838428 0.340303 Co\n0.904633 0.904819 0.686531 O\n0.539187 0.068827 0.323663 O\n0.246881 0.267966 0.011125 O\n0.912814 0.432284 0.682337 O\n0.582272 0.610392 0.350199 O\n0.232007 0.742875 0.017472 O\n0.431489 0.427328 0.639584 O\n0.116637 0.590152 0.319423 O\n0.750998 0.723891 0.986656 O\n0.421613 0.896777 0.643787 O\n0.085994 0.063494 0.325521 O\n0.780483 0.265247 0.011693 O\n",
"nsites": 24,
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"elements": [
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"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.177636866424328,
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"volume": 209.57501628560908,
"volume_molar": 5.2587093660467925,
"formula_full": "Li7 Mn2 Co3 O12",
"formula_reduced": "Li7Mn2(CoO4)3",
"formula_anonymous": "A2B3C7D12",
"energy": -157.80784295,
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"updated_at": "2021-11-28T01:37:12.179000Z",
"spacegroup": 1
},
{
"id": "mp-755008",
"created_at": "2022-09-04T14:44:59.122396Z",
"structure_string": "Li2 Fe1 Ni1 O4\n1.0\n2.910828 0.000000 0.000000\n0.000000 5.039102 0.000000\n0.000000 1.689227 4.762661\nLi Fe Ni O\n2 1 1 4\ndirect\n0.500000 0.500000 0.000000 Li\n0.000000 0.500000 0.500000 Li\n0.500000 0.000000 0.500000 Fe\n0.000000 0.000000 0.000000 Ni\n0.500000 0.778324 0.265985 O\n0.500000 0.221676 0.734015 O\n0.000000 0.228325 0.275195 O\n0.000000 0.771675 0.724805 O\n",
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],
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"volume": 69.85851721455232,
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"formula_full": "Li2 Fe1 Ni1 O4",
"formula_reduced": "Li2FeNiO4",
"formula_anonymous": "ABC2D4",
"energy": -51.29535562,
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"updated_at": "2021-11-28T01:36:50.510000Z",
"spacegroup": 10
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{
"id": "mp-1313101",
"created_at": "2022-09-04T14:39:06.364117Z",
"structure_string": "Li10 Mn4 Co2 O16\n1.0\n2.872819 0.169150 -0.092756\n-1.149094 19.091970 -0.968551\n0.170840 -0.128732 5.078666\nLi Mn Co O\n10 4 2 16\ndirect\n0.000101 0.124226 0.376119 Li\n0.999895 0.625774 0.873872 Li\n0.999997 0.375001 0.125001 Li\n0.000000 0.875000 0.624993 Li\n0.500571 0.122563 0.875863 Li\n0.499432 0.627434 0.374125 Li\n0.502348 0.243313 0.245897 Li\n0.501871 0.747295 0.741755 Li\n0.498133 0.002705 0.508238 Li\n0.497648 0.506688 0.004113 Li\n0.997315 0.504417 0.477518 Mn\n0.002685 0.245577 0.772494 Mn\n0.998942 0.001321 0.995515 Mn\n0.001127 0.748694 0.254461 Mn\n0.500004 0.874998 0.124989 Co\n0.500001 0.375000 0.624997 Co\n0.498970 0.053156 0.172044 O\n0.496936 0.554890 0.661904 O\n0.503036 0.195111 0.588114 O\n0.501046 0.696847 0.077951 O\n0.002456 0.190711 0.048471 O\n0.001270 0.696287 0.538951 O\n0.998698 0.053713 0.711057 O\n0.997540 0.559286 0.201540 O\n0.502322 0.305613 0.930830 O\n0.500593 0.811280 0.404378 O\n0.497640 0.444387 0.319188 O\n0.499416 0.938720 0.845624 O\n0.997728 0.433379 0.770032 O\n0.999662 0.932094 0.281664 O\n0.002277 0.316620 0.479975 O\n0.000341 0.817901 0.968331 O\n",
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],
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"density_atomic": 0.11451339181441103,
"volume": 279.4432991021836,
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"formula_full": "Li10 Mn4 Co2 O16",
"formula_reduced": "Li5Mn2CoO8",
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"energy": -213.16743219,
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"updated_at": "2021-11-28T01:34:41.268000Z",
"spacegroup": 10
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{
"id": "mp-2341",
"created_at": "2022-09-04T14:41:53.936525Z",
"structure_string": "Li6 N2\n1.0\n1.782263 -3.086970 0.000000\n1.782263 3.086970 0.000000\n0.000000 0.000000 6.348980\nLi N\n6 2\ndirect\n0.000000 0.000000 0.250000 Li\n0.000000 0.000000 0.750000 Li\n0.333333 0.666667 0.576653 Li\n0.666667 0.333333 0.076653 Li\n0.666667 0.333333 0.423347 Li\n0.333333 0.666667 0.923347 Li\n0.333333 0.666667 0.250000 N\n0.666667 0.333333 0.750000 N\n",
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"elements": [
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"volume": 69.86153998997425,
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"formula_full": "Li6 N2",
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"updated_at": "2021-11-28T01:35:27.819000Z",
"spacegroup": 194
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{
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},
{
"id": "mp-706335",
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"structure_string": "Mg3 P4 H28 N2 O24\n1.0\n6.761136 0.000000 0.000000\n-1.066577 7.669806 0.000000\n-1.298662 -2.928357 10.272487\nMg P H N O\n3 4 28 2 24\ndirect\n0.000000 0.000000 0.000000 Mg\n0.659854 0.240900 0.403051 Mg\n0.340146 0.759100 0.596949 Mg\n0.750914 0.334291 0.128021 P\n0.249086 0.665709 0.871979 P\n0.795555 0.695206 0.527253 P\n0.204445 0.304794 0.472747 P\n0.844077 0.612639 0.265474 H\n0.155923 0.387361 0.734526 H\n0.013228 0.775892 0.717113 H\n0.986772 0.224108 0.282887 H\n0.626834 0.781064 0.026127 H\n0.373166 0.218936 0.973873 H\n0.821691 0.727883 0.093350 H\n0.178309 0.272117 0.906650 H\n0.269315 0.054600 0.231690 H\n0.730685 0.945400 0.768310 H\n0.292905 0.884653 0.115166 H\n0.707095 0.115347 0.884834 H\n0.679174 0.943343 0.216518 H\n0.320826 0.056657 0.783482 H\n0.698146 0.884996 0.344721 H\n0.301854 0.115004 0.655279 H\n0.898356 0.187042 0.590100 H\n0.101644 0.812958 0.409900 H\n0.704269 0.041507 0.584266 H\n0.295731 0.958493 0.415734 H\n0.343086 0.582878 0.131492 H\n0.656914 0.417122 0.868508 H\n0.429096 0.452395 0.227793 H\n0.570904 0.547605 0.772207 H\n0.178298 0.438209 0.181322 H\n0.821702 0.561791 0.818678 H\n0.307271 0.628473 0.289543 H\n0.692729 0.371527 0.710457 H\n0.316063 0.526158 0.207744 N\n0.683937 0.473842 0.792256 N\n0.628289 0.290649 0.990756 O\n0.371711 0.709351 0.009244 O\n0.931463 0.229765 0.129043 O\n0.068537 0.770235 0.870957 O\n0.617872 0.305383 0.229449 O\n0.382128 0.694617 0.770551 O\n0.850122 0.546919 0.169756 O\n0.149878 0.453081 0.830244 O\n0.013313 0.771136 0.622242 O\n0.986687 0.228864 0.377758 O\n0.647878 0.812737 0.591815 O\n0.352122 0.187263 0.408185 O\n0.735180 0.496353 0.516715 O\n0.264820 0.503647 0.483285 O\n0.837704 0.738412 0.399316 O\n0.162296 0.261588 0.600684 O\n0.774392 0.826782 0.061490 O\n0.225608 0.173218 0.938510 O\n0.202389 0.970972 0.147210 O\n0.797611 0.029028 0.852790 O\n0.628377 0.963963 0.300266 O\n0.371623 0.036037 0.699734 O\n0.747736 0.166802 0.577071 O\n0.252264 0.833198 0.422929 O\n",
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},
{
"id": "mp-768724",
"created_at": "2022-09-04T14:47:32.312816Z",
"structure_string": "Li24 Mn7 Cr5 O36\n1.0\n5.015024 0.000000 0.000000\n-0.811894 9.712987 0.000000\n-2.479811 -1.879133 12.908723\nLi Mn Cr O\n24 7 5 36\ndirect\n0.165129 0.999760 0.834647 Li\n0.047482 0.000751 0.613607 Li\n0.001238 0.750186 0.250200 Li\n0.329452 0.750664 0.917456 Li\n0.049389 0.498829 0.111909 Li\n0.378533 0.499619 0.777050 Li\n0.165055 0.499446 0.332854 Li\n0.502046 0.500024 0.000993 Li\n0.279029 0.500226 0.555189 Li\n0.329500 0.250615 0.415715 Li\n0.505832 0.999022 0.498882 Li\n0.281806 0.000023 0.053324 Li\n0.619394 0.999985 0.719877 Li\n0.379735 0.998907 0.278632 Li\n0.718843 0.000813 0.947331 Li\n0.669057 0.748780 0.583823 Li\n0.719333 0.500692 0.446390 Li\n0.836073 0.500663 0.666879 Li\n0.619321 0.502169 0.221230 Li\n0.953126 0.499287 0.887524 Li\n0.664700 0.249071 0.083272 Li\n0.832379 0.000232 0.166882 Li\n0.998047 0.250068 0.749556 Li\n0.952562 0.998277 0.386296 Li\n0.109473 0.249076 0.973088 Mn\n0.218066 0.747226 0.694006 Mn\n0.220054 0.248404 0.193394 Mn\n0.444812 0.749777 0.138821 Mn\n0.557149 0.751494 0.359988 Mn\n0.893841 0.251797 0.528297 Mn\n0.892482 0.751391 0.028734 Mn\n0.117321 0.750244 0.473611 Cr\n0.446718 0.251407 0.636633 Cr\n0.550721 0.249278 0.860948 Cr\n0.769671 0.750499 0.807169 Cr\n0.770362 0.250261 0.305992 Cr\n0.003197 0.863643 0.931784 O\n0.070634 0.636430 0.785670 O\n0.005626 0.364118 0.431114 O\n0.137692 0.362848 0.643200 O\n0.264465 0.364226 0.883452 O\n0.328022 0.861550 0.595009 O\n0.070747 0.135880 0.284731 O\n0.192528 0.138289 0.525111 O\n0.400745 0.135222 0.952709 O\n0.144280 0.861356 0.143489 O\n0.268135 0.866032 0.380186 O\n0.478602 0.861385 0.808762 O\n0.341328 0.137802 0.738808 O\n0.191392 0.638313 0.023658 O\n0.398566 0.636907 0.449882 O\n0.516110 0.637044 0.688027 O\n0.333231 0.638461 0.237637 O\n0.672229 0.638351 0.904045 O\n0.334078 0.361495 0.095679 O\n0.662035 0.363056 0.760170 O\n0.477715 0.361894 0.308612 O\n0.597155 0.363448 0.547850 O\n0.811143 0.362433 0.975472 O\n0.668793 0.861965 0.261335 O\n0.516877 0.136639 0.188804 O\n0.742368 0.134458 0.617071 O\n0.859550 0.137387 0.857929 O\n0.597236 0.863021 0.047998 O\n0.809827 0.861951 0.475295 O\n0.930526 0.863733 0.716043 O\n0.672723 0.138604 0.403640 O\n0.736951 0.635985 0.118450 O\n0.854912 0.638054 0.357392 O\n0.995491 0.637111 0.573125 O\n0.931697 0.363760 0.216209 O\n0.995661 0.138187 0.071455 O\n",
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"formula_full": "Li24 Mn7 Cr5 O36",
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}
]
}