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{
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"results": [
{
"id": "mp-1173890",
"created_at": "2022-09-04T14:40:38.716597Z",
"structure_string": "Li4 Co2 O6\n1.0\n1.487176 7.386946 0.000000\n-1.487176 7.386946 0.000000\n0.000000 1.399499 4.794249\nLi Co O\n4 2 6\ndirect\n0.333168 0.333168 0.495965 Li\n0.000000 0.000000 0.500000 Li\n0.666832 0.666832 0.504035 Li\n0.500000 0.500000 0.000000 Li\n0.160190 0.160190 0.007082 Co\n0.839810 0.839810 0.992918 Co\n0.410323 0.410323 0.762541 O\n0.094182 0.094182 0.771085 O\n0.750932 0.750932 0.784200 O\n0.249068 0.249068 0.215800 O\n0.905818 0.905818 0.228915 O\n0.589677 0.589677 0.237459 O\n",
"nsites": 12,
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"elements": [
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"volume": 105.33625513053228,
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"formula_full": "Li4 Co2 O6",
"formula_reduced": "Li2CoO3",
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"spacegroup": 12
},
{
"id": "mp-20318",
"created_at": "2022-09-04T14:47:46.625188Z",
"structure_string": "Mn4 B2\n1.0\n-2.533203 2.533203 2.051945\n2.533203 -2.533203 2.051945\n2.533203 2.533203 -2.051945\nMn B\n4 2\ndirect\n0.158601 0.658601 0.817202 Mn\n0.841399 0.341399 0.182798 Mn\n0.341399 0.158601 0.500000 Mn\n0.658601 0.841399 0.500000 Mn\n0.250000 0.250000 0.000000 B\n0.750000 0.750000 0.000000 B\n",
"nsites": 6,
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"volume": 52.670288175190834,
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"formula_full": "Mn4 B2",
"formula_reduced": "Mn2B",
"formula_anonymous": "AB2",
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"updated_at": "2021-11-28T01:38:22.109000Z",
"spacegroup": 140
},
{
"id": "mp-1212581",
"created_at": "2022-09-04T14:47:24.084177Z",
"structure_string": "H48 C4 N40 O12\n1.0\n3.837292 0.000000 0.000000\n0.000000 12.793855 0.000000\n0.000000 0.000000 18.596618\nH C N O\n48 4 40 12\ndirect\n0.609283 0.430214 0.025679 H\n0.890717 0.569786 0.525679 H\n0.390717 0.930214 0.474321 H\n0.109283 0.069786 0.974321 H\n0.162355 0.281848 0.511868 H\n0.337645 0.718152 0.011868 H\n0.837645 0.781848 0.988132 H\n0.662355 0.218152 0.488132 H\n0.666591 0.085804 0.059504 H\n0.833409 0.914196 0.559504 H\n0.333409 0.585804 0.440496 H\n0.166591 0.414196 0.940496 H\n0.362177 0.158622 0.445547 H\n0.137823 0.841378 0.945547 H\n0.637823 0.658622 0.054453 H\n0.862177 0.341378 0.554453 H\n0.411753 0.432257 0.257366 H\n0.088247 0.567743 0.757366 H\n0.588247 0.932257 0.242634 H\n0.911753 0.067743 0.742634 H\n0.401364 0.305688 0.286240 H\n0.098636 0.694312 0.786240 H\n0.598636 0.805688 0.213760 H\n0.901364 0.194312 0.713760 H\n0.334669 0.467474 0.475885 H\n0.165331 0.532526 0.975885 H\n0.665331 0.967474 0.024115 H\n0.834669 0.032526 0.524115 H\n0.311729 0.149578 0.623989 H\n0.188271 0.850422 0.123989 H\n0.688271 0.649578 0.876011 H\n0.811729 0.350422 0.376011 H\n0.270239 0.146133 0.752126 H\n0.229761 0.853867 0.252126 H\n0.729761 0.646133 0.747874 H\n0.770239 0.353867 0.247874 H\n0.282378 0.464039 0.087523 H\n0.217622 0.535961 0.587523 H\n0.717622 0.964039 0.412477 H\n0.782378 0.035961 0.912477 H\n0.286280 0.342922 0.051530 H\n0.213720 0.657078 0.551530 H\n0.713720 0.842922 0.448470 H\n0.786280 0.157078 0.948470 H\n0.313890 0.027295 0.652827 H\n0.186110 0.972705 0.152827 H\n0.686110 0.527295 0.847173 H\n0.813890 0.472705 0.347173 H\n0.013516 0.627895 0.253621 C\n0.486484 0.372105 0.753621 C\n0.986484 0.127895 0.246379 C\n0.513516 0.872105 0.746379 C\n0.092336 0.138937 0.359414 N\n0.407664 0.861063 0.859414 N\n0.907664 0.638937 0.140586 N\n0.592336 0.361063 0.640586 N\n0.039654 0.226186 0.142687 N\n0.460346 0.773814 0.642687 N\n0.960346 0.726186 0.357313 N\n0.539654 0.273814 0.857313 N\n0.063097 0.127284 0.718321 N\n0.436903 0.872716 0.218321 N\n0.936903 0.627284 0.781679 N\n0.563097 0.372716 0.281679 N\n0.037068 0.636420 0.327544 N\n0.462932 0.363579 0.827544 N\n0.962932 0.136421 0.172456 N\n0.537068 0.863580 0.672456 N\n0.347846 0.421129 0.040773 N\n0.152154 0.578871 0.540773 N\n0.652154 0.921129 0.459227 N\n0.847846 0.078871 0.959227 N\n0.131170 0.190964 0.296907 N\n0.368830 0.809036 0.796907 N\n0.868830 0.690964 0.203093 N\n0.631170 0.309036 0.703093 N\n0.161058 0.092755 0.647218 N\n0.338942 0.907245 0.147218 N\n0.838942 0.592755 0.852782 N\n0.661058 0.407245 0.352782 N\n0.137243 0.539246 0.222735 N\n0.362757 0.460754 0.722735 N\n0.862757 0.039246 0.277265 N\n0.637243 0.960754 0.777265 N\n0.605037 0.044227 0.013880 N\n0.894963 0.955773 0.513880 N\n0.394963 0.544227 0.486120 N\n0.105037 0.455773 0.986120 N\n0.067702 0.549398 0.152499 N\n0.432298 0.450602 0.652499 N\n0.932298 0.049398 0.347501 N\n0.567702 0.950602 0.847501 N\n0.465352 0.168951 0.494070 O\n0.034648 0.831049 0.994070 O\n0.534648 0.668951 0.005930 O\n0.965352 0.331049 0.505930 O\n0.119045 0.309140 0.177144 O\n0.380955 0.690860 0.677144 O\n0.880955 0.809140 0.322856 O\n0.619045 0.190860 0.822856 O\n0.029420 0.229688 0.073650 O\n0.470580 0.770312 0.573650 O\n0.970580 0.729688 0.426350 O\n0.529420 0.270312 0.926350 O\n",
"nsites": 104,
"nelements": 4,
"elements": [
"H",
"C",
"N",
"O"
],
"chemical_system": "C-H-N-O",
"density": 1.5436016631502107,
"density_atomic": 0.11391294939204305,
"volume": 912.9778533086118,
"volume_molar": 5.28661648402605,
"formula_full": "H48 C4 N40 O12",
"formula_reduced": "H12CN10O3",
"formula_anonymous": "AB3C10D12",
"energy": -633.3407594299999,
"energy_per_atom": -6.08981499451923,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -610.65675943,
"band_gap": 3.0394,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:05.950000Z",
"spacegroup": 19
},
{
"id": "mp-1175534",
"created_at": "2022-09-04T14:43:41.074375Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n5.766035 0.000000 0.000000\n2.862224 5.087558 0.000000\n2.825789 1.573863 9.576996\nLi Mn Co O\n9 2 5 16\ndirect\n0.751985 0.239911 0.261243 Li\n0.254575 0.250828 0.746948 Li\n0.241922 0.759572 0.252502 Li\n0.756027 0.751558 0.748854 Li\n0.243973 0.248442 0.251146 Li\n0.758078 0.240428 0.747498 Li\n0.745425 0.749172 0.253052 Li\n0.248015 0.760089 0.738757 Li\n0.000000 0.000000 0.500000 Li\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500000 0.500000 Mn\n0.500000 0.000000 0.500000 Co\n0.500000 0.500000 0.000000 Co\n0.500000 0.000000 0.000000 Co\n0.000000 0.500000 0.000000 Co\n0.500000 0.500000 0.500000 Co\n0.104135 0.128146 0.122002 O\n0.607231 0.151452 0.602844 O\n0.620962 0.652827 0.111209 O\n0.145432 0.609207 0.610522 O\n0.638546 0.114556 0.112459 O\n0.142653 0.141296 0.605889 O\n0.111661 0.649775 0.116182 O\n0.644937 0.595844 0.617817 O\n0.355063 0.404156 0.382183 O\n0.888339 0.350225 0.883818 O\n0.857347 0.858704 0.394111 O\n0.361454 0.885444 0.887541 O\n0.854568 0.390793 0.389478 O\n0.379038 0.347173 0.888791 O\n0.392769 0.848548 0.397156 O\n0.895865 0.871854 0.877998 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.273387950508912,
"density_atomic": 0.11390270151199111,
"volume": 280.9415367258098,
"volume_molar": 5.2870921234173,
"formula_full": "Li9 Mn2 Co5 O16",
"formula_reduced": "Li9Mn2Co5O16",
"formula_anonymous": "A2B5C9D16",
"energy": -208.05130779,
"energy_per_atom": -6.5016033684375,
"energy_above_hull": null,
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"energy_uncorrected": -185.53330779,
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"total_magnetization": 7.5605582,
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"updated_at": "2021-11-28T01:36:13.698000Z",
"spacegroup": 2
},
{
"id": "mp-24659",
"created_at": "2022-09-04T14:39:24.516166Z",
"structure_string": "U2 H6\n1.0\n4.125903 0.000000 0.000000\n0.000000 4.125903 0.000000\n0.000000 0.000000 4.125903\nU H\n2 6\ndirect\n0.500000 0.500000 0.500000 U\n0.000000 0.000000 0.000000 U\n0.500000 0.250000 0.000000 H\n0.500000 0.750000 0.000000 H\n0.250000 0.000000 0.500000 H\n0.750000 0.000000 0.500000 H\n0.000000 0.500000 0.250000 H\n0.000000 0.500000 0.750000 H\n",
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"elements": [
"U",
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],
"chemical_system": "H-U",
"density": 11.398143150572405,
"density_atomic": 0.11390241874314859,
"volume": 70.2355585445477,
"volume_molar": 5.287105248906087,
"formula_full": "U2 H6",
"formula_reduced": "UH3",
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"energy": -46.11650601,
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"updated_at": "2021-11-28T01:34:41.934000Z",
"spacegroup": 223
},
{
"id": "mp-1174098",
"created_at": "2022-09-04T14:47:42.199495Z",
"structure_string": "Li10 Mn4 Co2 O16\n1.0\n-5.600270 -0.344805 -1.344648\n-2.869803 -0.184799 5.826781\n0.890275 7.754152 0.043657\nLi Mn Co O\n10 4 2 16\ndirect\n0.875950 0.750155 0.249666 Li\n0.374050 0.749838 0.250333 Li\n0.067534 0.107705 0.374883 Li\n0.565171 0.105830 0.370828 Li\n0.182466 0.392293 0.125115 Li\n0.684827 0.394172 0.129173 Li\n0.822229 0.629091 0.887952 Li\n0.319183 0.629774 0.887976 Li\n0.930818 0.870225 0.612023 Li\n0.427769 0.870904 0.612048 Li\n0.507263 0.985925 0.005946 Mn\n0.742759 0.514087 0.494064 Mn\n0.008938 0.988305 0.006053 Mn\n0.241062 0.511690 0.493936 Mn\n0.625001 0.250001 0.749995 Co\n0.124998 0.249992 0.749999 Co\n0.278950 0.059577 0.165966 O\n0.775395 0.063699 0.164075 O\n0.971044 0.440420 0.334034 O\n0.474611 0.436302 0.335934 O\n0.020343 0.555959 0.665207 O\n0.521600 0.552154 0.666517 O\n0.728394 0.947843 0.833478 O\n0.229660 0.944042 0.834799 O\n0.658901 0.793406 0.444380 O\n0.160623 0.791186 0.443809 O\n0.089369 0.708813 0.056187 O\n0.591094 0.706620 0.055619 O\n0.919925 0.294010 0.924612 O\n0.406210 0.294046 0.920078 O\n0.330073 0.205985 0.575386 O\n0.843790 0.205951 0.579928 O\n",
"nsites": 32,
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"elements": [
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"O"
],
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"density": 3.9188144695824487,
"density_atomic": 0.11390154875987708,
"volume": 280.94438002297215,
"volume_molar": 5.287145631966471,
"formula_full": "Li10 Mn4 Co2 O16",
"formula_reduced": "Li5Mn2CoO8",
"formula_anonymous": "AB2C5D8",
"energy": -213.62886089,
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"updated_at": "2021-11-28T01:38:12.824000Z",
"spacegroup": 12
},
{
"id": "mp-1173928",
"created_at": "2022-09-04T14:43:53.639475Z",
"structure_string": "Li4 Mn2 O6\n1.0\n2.803232 0.101845 0.705448\n0.756316 7.475726 1.777695\n0.193195 -0.008390 5.091590\nLi Mn O\n4 2 6\ndirect\n0.658457 0.187098 0.492088 Li\n0.008216 0.479568 0.507903 Li\n0.333337 0.833332 0.499997 Li\n0.333336 0.333335 0.999996 Li\n0.001323 0.011095 0.988129 Mn\n0.665342 0.655568 0.011892 Mn\n0.360035 0.068991 0.216406 O\n0.659613 0.438005 0.241919 O\n0.015310 0.752733 0.218264 O\n0.007052 0.228662 0.758078 O\n0.306631 0.597679 0.783592 O\n0.651349 0.913935 0.781737 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Li",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 3.682199936280575,
"density_atomic": 0.1138934744161296,
"volume": 105.3616114664824,
"volume_molar": 5.287520457929892,
"formula_full": "Li4 Mn2 O6",
"formula_reduced": "Li2MnO3",
"formula_anonymous": "AB2C3",
"energy": -81.1187334,
"energy_per_atom": -6.75989445,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:36:23.211000Z",
"spacegroup": 12
},
{
"id": "mp-1020026",
"created_at": "2022-09-04T14:39:06.814358Z",
"structure_string": "Li2 Be2 B2 O6\n1.0\n4.637602 0.000000 0.000000\n2.270963 4.122615 0.000000\n1.795878 1.576697 5.510993\nLi Be B O\n2 2 2 6\ndirect\n0.743578 0.132770 0.661960 Li\n0.256422 0.867230 0.338040 Li\n0.355919 0.726001 0.845878 Be\n0.644081 0.273999 0.154122 Be\n0.070534 0.400587 0.772218 B\n0.929466 0.599413 0.227782 B\n0.327776 0.097712 0.761344 O\n0.672224 0.902288 0.238656 O\n0.126557 0.687149 0.708795 O\n0.873443 0.312851 0.291205 O\n0.743055 0.421849 0.845512 O\n0.256945 0.578151 0.154488 O\n",
"nsites": 12,
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"elements": [
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"Be",
"B",
"O"
],
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"density": 2.3564927608738877,
"density_atomic": 0.11388987935783847,
"volume": 105.36493732069354,
"volume_molar": 5.287687364281615,
"formula_full": "Li2 Be2 B2 O6",
"formula_reduced": "LiBeBO3",
"formula_anonymous": "ABCD3",
"energy": -88.64314231,
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"updated_at": "2021-11-28T01:34:45.151000Z",
"spacegroup": 2
},
{
"id": "mp-1174535",
"created_at": "2022-09-04T14:44:54.818205Z",
"structure_string": "Li7 Mn2 Co3 O12\n1.0\n5.133778 0.000000 0.000000\n1.857816 5.574610 0.000000\n1.859808 1.111249 7.363506\nLi Mn Co O\n7 2 3 12\ndirect\n0.501049 0.333986 0.656564 Li\n0.496435 0.171127 0.342654 Li\n0.500000 0.000000 0.000000 Li\n0.503565 0.828873 0.657346 Li\n0.498951 0.666014 0.343436 Li\n0.500000 0.500000 0.000000 Li\n0.000000 0.500000 0.500000 Li\n0.996900 0.661995 0.829111 Mn\n0.003100 0.338005 0.170889 Mn\n0.000130 0.167031 0.829949 Co\n0.000000 0.000000 0.500000 Co\n0.999870 0.832969 0.170051 Co\n0.216094 0.154578 0.596185 O\n0.247173 0.026720 0.247400 O\n0.199230 0.836011 0.919751 O\n0.239346 0.668643 0.599874 O\n0.214529 0.509012 0.238830 O\n0.234616 0.352176 0.924948 O\n0.785471 0.490988 0.761170 O\n0.760654 0.331357 0.400126 O\n0.800770 0.163989 0.080249 O\n0.752827 0.973280 0.752600 O\n0.783906 0.845422 0.403815 O\n0.765384 0.647824 0.075052 O\n",
"nsites": 24,
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"elements": [
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"Co",
"O"
],
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"density": 4.1546455333785435,
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{
"id": "mp-778190",
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"structure_string": "Li32 Mn3 Cr13 O48\n1.0\n-5.031471 0.000000 0.000000\n-0.056860 -8.711228 0.000000\n1.644225 2.733051 19.232311\nLi Mn Cr O\n32 3 13 48\ndirect\n0.990124 0.167331 0.249320 Li\n0.873819 0.374220 0.375046 Li\n0.750850 0.249062 0.999353 Li\n0.740786 0.919563 0.000093 Li\n0.991714 0.169052 0.749175 Li\n0.751999 0.579728 0.499585 Li\n0.874575 0.375151 0.875066 Li\n0.751558 0.248905 0.500427 Li\n0.741562 0.921379 0.499572 Li\n0.623242 0.123295 0.125182 Li\n0.756124 0.579796 0.999870 Li\n0.507744 0.330285 0.250339 Li\n0.624941 0.127641 0.625301 Li\n0.499026 0.000413 0.249625 Li\n0.490005 0.669811 0.250107 Li\n0.507871 0.330015 0.749411 Li\n0.374710 0.874887 0.375026 Li\n0.498933 0.001496 0.750112 Li\n0.247936 0.749796 0.000505 Li\n0.494607 0.668945 0.750272 Li\n0.243434 0.420798 0.999980 Li\n0.376280 0.876390 0.874941 Li\n0.258018 0.081739 0.500438 Li\n0.251429 0.748797 0.499733 Li\n0.127064 0.626545 0.124798 Li\n0.246804 0.419841 0.500767 Li\n0.011086 0.832332 0.250375 Li\n0.260834 0.080024 0.000003 Li\n0.127257 0.623218 0.624662 Li\n0.002203 0.500810 0.250593 Li\n0.006273 0.831582 0.750858 Li\n0.999419 0.498195 0.749758 Li\n0.873205 0.707395 0.874563 Mn\n0.374963 0.541962 0.375003 Mn\n0.128579 0.290227 0.625910 Mn\n0.868563 0.705259 0.374536 Cr\n0.879874 0.038549 0.375187 Cr\n0.879604 0.038027 0.874698 Cr\n0.629666 0.788021 0.124641 Cr\n0.622933 0.452267 0.123949 Cr\n0.621916 0.797090 0.623912 Cr\n0.630893 0.460095 0.625213 Cr\n0.371844 0.212211 0.375345 Cr\n0.377777 0.546014 0.875419 Cr\n0.371980 0.212139 0.875244 Cr\n0.119760 0.961704 0.125390 Cr\n0.128391 0.297649 0.126164 Cr\n0.121239 0.953563 0.624588 Cr\n0.969341 0.105959 0.069679 O\n0.918509 0.784195 0.068592 O\n0.934587 0.422527 0.067306 O\n0.966529 0.107466 0.569786 O\n0.831177 0.965977 0.181344 O\n0.815972 0.327107 0.182834 O\n0.935287 0.789066 0.568212 O\n0.925145 0.426047 0.568446 O\n0.781204 0.643589 0.180119 O\n0.718732 0.852369 0.318668 O\n0.813301 0.959246 0.681316 O\n0.827801 0.319551 0.682678 O\n0.675512 0.534413 0.318879 O\n0.672289 0.176554 0.317901 O\n0.779316 0.641135 0.680037 O\n0.710160 0.852847 0.818657 O\n0.463032 0.602124 0.068802 O\n0.568459 0.714077 0.430624 O\n0.576955 0.074174 0.432122 O\n0.683255 0.535837 0.819006 O\n0.672917 0.175397 0.818294 O\n0.426216 0.926694 0.068008 O\n0.437606 0.287388 0.068809 O\n0.538957 0.396979 0.431246 O\n0.464284 0.610556 0.568770 O\n0.572307 0.713875 0.930538 O\n0.577144 0.072310 0.932302 O\n0.324061 0.823486 0.181813 O\n0.313163 0.462711 0.181349 O\n0.433949 0.925107 0.566946 O\n0.427914 0.286956 0.569581 O\n0.533209 0.396611 0.931270 O\n0.286231 0.147981 0.181253 O\n0.214492 0.358143 0.319361 O\n0.314610 0.827101 0.682550 O\n0.321413 0.463977 0.680941 O\n0.181228 0.677523 0.317867 O\n0.168982 0.036060 0.318774 O\n0.286939 0.142427 0.680633 O\n0.219361 0.357693 0.819542 O\n0.073569 0.573902 0.431520 O\n0.081791 0.214825 0.431239 O\n0.175848 0.676284 0.818195 O\n0.168124 0.035540 0.818728 O\n0.032219 0.894135 0.431139 O\n0.067819 0.573128 0.932127 O\n0.081394 0.213587 0.931496 O\n0.034283 0.892147 0.930647 O\n",
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"elements": [
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],
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"volume": 842.9577888169725,
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"formula_full": "Li32 Mn3 Cr13 O48",
"formula_reduced": "Li32Mn3Cr13O48",
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"updated_at": "2021-11-28T01:34:45.168000Z",
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},
{
"id": "mp-570943",
"created_at": "2022-09-04T14:48:16.487777Z",
"structure_string": "La2 Fe10 H14\n1.0\n2.818574 -4.881914 0.000000\n2.818574 4.881914 0.000000\n0.000000 0.000000 8.295883\nLa Fe H\n2 10 14\ndirect\n0.000000 0.000000 0.022163 La\n0.000000 0.000000 0.522163 La\n0.976470 0.488235 0.771983 Fe\n0.333333 0.666667 0.513404 Fe\n0.666667 0.333333 0.489323 Fe\n0.511765 0.488235 0.771983 Fe\n0.666667 0.333333 0.013404 Fe\n0.488235 0.976470 0.271983 Fe\n0.023530 0.511765 0.271983 Fe\n0.333333 0.666667 0.989323 Fe\n0.511765 0.023530 0.771983 Fe\n0.488235 0.511765 0.271983 Fe\n0.859553 0.719107 0.772947 H\n0.859553 0.140447 0.772947 H\n0.140447 0.859553 0.272947 H\n0.333333 0.666667 0.768885 H\n0.006119 0.503060 0.062812 H\n0.719107 0.859553 0.272947 H\n0.503060 0.006119 0.562812 H\n0.993881 0.496940 0.562812 H\n0.140447 0.280893 0.272947 H\n0.666667 0.333333 0.268885 H\n0.496940 0.503060 0.062812 H\n0.496940 0.993881 0.062812 H\n0.503060 0.496940 0.562812 H\n0.280893 0.140447 0.772947 H\n",
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{
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"structure_string": "Li8 Mn4 O12\n1.0\n2.888375 0.170318 -0.093448\n1.116097 7.196581 2.815833\n0.338565 -0.178676 10.141600\nLi Mn O\n8 4 12\ndirect\n0.166709 0.666642 0.916686 Li\n0.166649 0.666714 0.416682 Li\n0.666654 0.666752 0.666594 Li\n0.666689 0.666604 0.166676 Li\n0.826934 0.346670 0.086653 Li\n0.826897 0.346738 0.586642 Li\n0.506390 0.986720 0.746685 Li\n0.506368 0.986661 0.246725 Li\n0.004298 0.990499 0.006905 Mn\n0.329072 0.342357 0.826617 Mn\n0.004419 0.990842 0.506851 Mn\n0.328913 0.342632 0.326418 Mn\n0.423431 0.152900 0.029394 O\n0.423355 0.153237 0.529362 O\n0.909937 0.180351 0.303895 O\n0.909953 0.180194 0.803967 O\n0.761310 0.477932 0.873524 O\n0.761308 0.478009 0.373522 O\n0.572069 0.855205 0.959806 O\n0.571993 0.855553 0.459747 O\n0.075355 0.848802 0.693145 O\n0.075421 0.848553 0.193248 O\n0.257922 0.484761 0.140080 O\n0.257954 0.484673 0.640175 O\n",
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]
}