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{
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{
"id": "mp-571020",
"created_at": "2022-09-04T14:47:37.566753Z",
"structure_string": "Cs6 Mg6 H18\n1.0\n6.157607 0.000000 0.000000\n0.000000 8.611196 0.000000\n0.000000 0.000000 10.019454\nCs Mg H\n6 6 18\ndirect\n0.500000 0.666059 0.279151 Cs\n0.500000 0.181810 0.500000 Cs\n0.000000 0.333941 0.779151 Cs\n0.000000 0.818190 0.000000 Cs\n0.000000 0.333941 0.220849 Cs\n0.500000 0.666059 0.720849 Cs\n0.500000 0.073388 0.139482 Mg\n0.500000 0.364778 0.000000 Mg\n0.000000 0.926612 0.639482 Mg\n0.500000 0.073388 0.860518 Mg\n0.000000 0.635222 0.500000 Mg\n0.000000 0.926612 0.360518 Mg\n0.799289 0.833205 0.500000 H\n0.700711 0.166795 0.000000 H\n0.735459 0.502048 0.000000 H\n0.235459 0.497952 0.500000 H\n0.764541 0.497952 0.500000 H\n0.264541 0.502048 0.000000 H\n0.500000 0.906456 0.000000 H\n0.000000 0.708424 0.698532 H\n0.000000 0.093544 0.500000 H\n0.500000 0.291576 0.198532 H\n0.000000 0.708424 0.301468 H\n0.299289 0.166795 0.000000 H\n0.750000 0.000000 0.250000 H\n0.500000 0.291576 0.801468 H\n0.200711 0.833205 0.500000 H\n0.250000 0.000000 0.250000 H\n0.750000 0.000000 0.750000 H\n0.250000 0.000000 0.750000 H\n",
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{
"id": "mp-770733",
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"structure_string": "Li8 Al4 Fe4 O16\n1.0\n5.100586 0.000000 0.000000\n0.000000 6.454322 0.000000\n0.000000 0.000000 10.957884\nLi Al Fe O\n8 4 4 16\ndirect\n0.721793 0.870120 0.087487 Li\n0.192554 0.117626 0.167252 Li\n0.692554 0.617626 0.332748 Li\n0.221793 0.370120 0.412513 Li\n0.778207 0.870120 0.587487 Li\n0.307446 0.117626 0.667252 Li\n0.807446 0.617626 0.832748 Li\n0.278207 0.370120 0.912513 Li\n0.184683 0.617712 0.166171 Al\n0.684683 0.117712 0.333829 Al\n0.315317 0.617712 0.666171 Al\n0.815317 0.117712 0.833829 Al\n0.686891 0.365394 0.086238 Fe\n0.186891 0.865394 0.413762 Fe\n0.813109 0.365394 0.586238 Fe\n0.313109 0.865394 0.913762 Fe\n0.274849 0.846919 0.084941 O\n0.312048 0.390173 0.094975 O\n0.834243 0.604874 0.160365 O\n0.793275 0.129279 0.178919 O\n0.293275 0.629279 0.321081 O\n0.334243 0.104874 0.339635 O\n0.812048 0.890173 0.405025 O\n0.774849 0.346919 0.415059 O\n0.225151 0.846919 0.584941 O\n0.187952 0.390173 0.594975 O\n0.665757 0.604874 0.660365 O\n0.706725 0.129279 0.678919 O\n0.206725 0.629279 0.821081 O\n0.165757 0.104874 0.839635 O\n0.687952 0.890173 0.905025 O\n0.725151 0.346919 0.915059 O\n",
"nsites": 32,
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"elements": [
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"Fe",
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],
"chemical_system": "Al-Fe-Li-O",
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"density_atomic": 0.08870591438176888,
"volume": 360.7425753178048,
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"formula_full": "Li8 Al4 Fe4 O16",
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"spacegroup": 33
},
{
"id": "mp-1063678",
"created_at": "2022-09-04T14:47:37.879146Z",
"structure_string": "H3 S1\n1.0\n2.004260 -2.830752 0.000000\n2.004260 2.830752 0.000000\n-1.993801 0.000000 2.838129\nH S\n3 1\ndirect\n0.272615 0.272615 0.624971 H\n0.272615 0.624971 0.272615 H\n0.624971 0.272615 0.272615 H\n0.642734 0.642734 0.642734 S\n",
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{
"id": "mp-1203220",
"created_at": "2022-09-04T14:47:37.933433Z",
"structure_string": "In8 Rh8 O24\n1.0\n7.708572 0.000000 0.000000\n0.000000 7.708579 0.000000\n0.000000 7.527236 7.733041\nIn Rh O\n8 8 24\ndirect\n0.744794 0.549619 0.730680 In\n0.755206 0.549619 0.230680 In\n0.255206 0.450381 0.269320 In\n0.244794 0.450381 0.769320 In\n0.734163 0.046496 0.223990 In\n0.765837 0.046496 0.723990 In\n0.265837 0.953504 0.776010 In\n0.234163 0.953504 0.276010 In\n0.500000 0.000000 0.500000 Rh\n0.000000 0.000000 0.000000 Rh\n0.500000 0.500000 0.000000 Rh\n0.000000 0.500000 0.500000 Rh\n0.500000 0.000000 0.000000 Rh\n0.000000 0.000000 0.500000 Rh\n0.500000 0.500000 0.500000 Rh\n0.000000 0.500000 0.000000 Rh\n0.973203 0.345967 0.897599 O\n0.526797 0.345967 0.397599 O\n0.026797 0.654033 0.102401 O\n0.473203 0.654033 0.602401 O\n0.039588 0.146304 0.751340 O\n0.460412 0.146304 0.251340 O\n0.960412 0.853696 0.248660 O\n0.539588 0.853696 0.748660 O\n0.752536 0.927834 0.472581 O\n0.747464 0.927834 0.972581 O\n0.247464 0.072166 0.527419 O\n0.252536 0.072166 0.027419 O\n0.096088 0.222682 0.248300 O\n0.403912 0.222682 0.748300 O\n0.903912 0.777318 0.751700 O\n0.596088 0.777318 0.251700 O\n0.749303 0.425167 0.601687 O\n0.750697 0.425167 0.101687 O\n0.250697 0.574833 0.398313 O\n0.249303 0.574833 0.898313 O\n0.902267 0.281910 0.465719 O\n0.597733 0.281910 0.965719 O\n0.097733 0.718090 0.534281 O\n0.402267 0.718090 0.034281 O\n",
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"elements": [
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"density": 7.681880256535902,
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"volume": 459.51381584522665,
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"formula_full": "In8 Rh8 O24",
"formula_reduced": "InRhO3",
"formula_anonymous": "ABC3",
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"spacegroup": 14
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{
"id": "mp-772300",
"created_at": "2022-09-04T14:47:38.088132Z",
"structure_string": "Li16 Cr12 P16 O60\n1.0\n6.422957 0.000000 0.000000\n0.000000 10.573264 0.000000\n0.000000 0.000000 18.162806\nLi Cr P O\n16 12 16 60\ndirect\n0.817205 0.519637 0.508859 Li\n0.697011 0.949500 0.531733 Li\n0.451239 0.190966 0.592083 Li\n0.850147 0.756380 0.702555 Li\n0.350147 0.256380 0.797445 Li\n0.951239 0.690966 0.907917 Li\n0.197011 0.449500 0.968267 Li\n0.317205 0.019637 0.991141 Li\n0.817205 0.980363 0.008859 Li\n0.697011 0.550500 0.031733 Li\n0.451239 0.309034 0.092083 Li\n0.850147 0.743620 0.202555 Li\n0.350147 0.243620 0.297445 Li\n0.951239 0.809034 0.407917 Li\n0.197011 0.050500 0.468267 Li\n0.317205 0.480363 0.491141 Li\n0.097668 0.508461 0.635140 Cr\n0.102531 0.004318 0.659001 Cr\n0.835275 0.258134 0.748471 Cr\n0.335275 0.758134 0.751529 Cr\n0.602531 0.504318 0.840999 Cr\n0.597668 0.008461 0.864860 Cr\n0.097668 0.991539 0.135140 Cr\n0.102531 0.495682 0.159001 Cr\n0.835275 0.241866 0.248471 Cr\n0.335275 0.741866 0.251529 Cr\n0.602531 0.995682 0.340999 Cr\n0.597668 0.491539 0.364860 Cr\n0.127587 0.769368 0.547826 P\n0.952672 0.243833 0.559099 P\n0.594404 0.515225 0.674140 P\n0.600602 0.998814 0.700862 P\n0.100602 0.498814 0.799138 P\n0.094404 0.015225 0.825860 P\n0.452672 0.743833 0.940901 P\n0.627587 0.269368 0.952174 P\n0.127587 0.730632 0.047826 P\n0.952672 0.256167 0.059099 P\n0.594404 0.984775 0.174140 P\n0.600602 0.501186 0.200862 P\n0.100602 0.001186 0.299138 P\n0.094404 0.484775 0.325860 P\n0.452672 0.756167 0.440901 P\n0.627587 0.230632 0.452174 P\n0.994433 0.869819 0.508326 O\n0.369616 0.803492 0.522476 O\n0.089525 0.632630 0.523201 O\n0.056546 0.372932 0.546241 O\n0.119727 0.142448 0.575999 O\n0.769661 0.242244 0.612294 O\n0.407332 0.486659 0.624364 O\n0.119759 0.784916 0.631359 O\n0.787556 0.533317 0.625080 O\n0.416145 0.026169 0.649466 O\n0.788827 0.970691 0.650246 O\n0.618076 0.407751 0.734223 O\n0.575214 0.639834 0.720169 O\n0.073721 0.383848 0.746913 O\n0.123221 0.612823 0.744405 O\n0.623221 0.112823 0.755595 O\n0.573721 0.883848 0.753087 O\n0.075214 0.139834 0.779831 O\n0.118076 0.907751 0.765777 O\n0.288827 0.470691 0.849754 O\n0.916145 0.526169 0.850534 O\n0.287556 0.033317 0.874920 O\n0.619759 0.284916 0.868641 O\n0.907332 0.986659 0.875636 O\n0.269661 0.742244 0.887706 O\n0.619727 0.642448 0.924001 O\n0.556546 0.872932 0.953759 O\n0.589525 0.132630 0.976799 O\n0.869616 0.303492 0.977524 O\n0.494433 0.369819 0.991674 O\n0.994433 0.630181 0.008326 O\n0.369616 0.696508 0.022476 O\n0.089525 0.867370 0.023201 O\n0.056546 0.127068 0.046241 O\n0.119727 0.357552 0.075999 O\n0.769661 0.257756 0.112294 O\n0.407332 0.013341 0.124364 O\n0.119759 0.715084 0.131359 O\n0.787556 0.966683 0.125080 O\n0.416145 0.473831 0.149466 O\n0.788827 0.529309 0.150246 O\n0.618076 0.092249 0.234223 O\n0.575214 0.860166 0.220169 O\n0.073721 0.116152 0.246913 O\n0.123221 0.887177 0.244405 O\n0.623221 0.387177 0.255595 O\n0.573721 0.616152 0.253087 O\n0.075214 0.360166 0.279831 O\n0.118076 0.592249 0.265777 O\n0.288827 0.029309 0.349754 O\n0.916145 0.973831 0.350534 O\n0.287556 0.466683 0.374920 O\n0.619759 0.215084 0.368641 O\n0.907332 0.513341 0.375636 O\n0.269661 0.757756 0.387706 O\n0.619727 0.857552 0.424001 O\n0.556546 0.627068 0.453759 O\n0.589525 0.367370 0.476799 O\n0.869616 0.196508 0.477524 O\n0.494433 0.130181 0.491674 O\n",
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"formula_full": "Li16 Cr12 P16 O60",
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{
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"structure_string": "Dy1 Ho1 C4\n1.0\n-3.649976 0.000000 0.000000\n0.000000 3.649976 0.000000\n0.000000 0.000000 -6.200098\nDy Ho C\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Dy\n0.500000 0.500000 0.500000 Ho\n0.000000 0.000000 0.394886 C\n0.500000 0.500000 0.894742 C\n0.500000 0.500000 0.105258 C\n0.000000 0.000000 0.605114 C\n",
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{
"id": "mp-1009834",
"created_at": "2022-09-04T14:47:38.127832Z",
"structure_string": "Al2 Ru1\n1.0\n-1.577268 1.577268 4.229562\n1.577268 -1.577268 4.229562\n1.577268 1.577268 -4.229562\nAl Ru\n2 1\ndirect\n0.659821 0.659821 0.000000 Al\n0.340179 0.340179 0.000000 Al\n0.000000 0.000000 0.000000 Ru\n",
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{
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{
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