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{
"id": "mp-779287",
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"structure_string": "La4 Hg2 O8\n1.0\n1.973369 7.096647 0.000000\n-1.973369 7.096647 0.000000\n0.000000 5.290334 9.036994\nLa Hg O\n4 2 8\ndirect\n0.619581 0.619581 0.542986 La\n0.159863 0.159863 0.202671 La\n0.840137 0.840137 0.797329 La\n0.380419 0.380419 0.457014 La\n0.883905 0.883905 0.163360 Hg\n0.116095 0.116095 0.836640 Hg\n0.226234 0.226234 0.392097 O\n0.797393 0.797393 0.058367 O\n0.037321 0.037321 0.721082 O\n0.581979 0.581979 0.345086 O\n0.418021 0.418021 0.654914 O\n0.962679 0.962679 0.278918 O\n0.202607 0.202607 0.941633 O\n0.773766 0.773766 0.607903 O\n",
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{
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"structure_string": "Te4 H60 C20 N4 O4 F24\n1.0\n7.233282 0.000000 0.000000\n0.000000 8.045587 0.000000\n0.000000 0.119547 22.385586\nTe H C N O F\n4 60 20 4 4 24\ndirect\n0.575234 0.252740 0.382179 Te\n0.424766 0.747260 0.617821 Te\n0.075234 0.747260 0.117821 Te\n0.924766 0.252740 0.882179 Te\n0.976313 0.497108 0.607681 H\n0.712502 0.634696 0.954051 H\n0.112927 0.814801 0.749164 H\n0.297020 0.146590 0.032355 H\n0.797020 0.853410 0.467645 H\n0.723288 0.076441 0.120015 H\n0.513776 0.506393 0.716949 H\n0.053310 0.020742 0.425096 H\n0.986224 0.506393 0.216949 H\n0.197478 0.093927 0.637842 H\n0.478220 0.183017 0.184557 H\n0.287498 0.365304 0.045949 H\n0.697478 0.906073 0.862158 H\n0.299790 0.311781 0.154215 H\n0.281687 0.879463 0.958319 H\n0.781687 0.120537 0.541681 H\n0.798530 0.412840 0.560532 H\n0.946690 0.979258 0.574904 H\n0.799790 0.688219 0.345785 H\n0.138588 0.219734 0.271078 H\n0.298530 0.587160 0.939468 H\n0.521780 0.816983 0.815443 H\n0.776712 0.076441 0.620015 H\n0.276712 0.923559 0.879985 H\n0.553310 0.979258 0.074904 H\n0.965641 0.716590 0.501061 H\n0.034359 0.283410 0.498939 H\n0.013776 0.493607 0.783051 H\n0.218313 0.879463 0.458319 H\n0.861412 0.780266 0.728922 H\n0.702980 0.853410 0.967645 H\n0.294030 0.624248 0.860699 H\n0.701470 0.412840 0.060532 H\n0.802522 0.906073 0.362158 H\n0.465641 0.283410 0.998939 H\n0.200210 0.311781 0.654215 H\n0.205970 0.624248 0.360699 H\n0.202980 0.146590 0.532355 H\n0.794030 0.375752 0.639301 H\n0.705970 0.375752 0.139301 H\n0.787498 0.634696 0.454051 H\n0.534359 0.716590 0.001061 H\n0.023687 0.502892 0.392319 H\n0.476313 0.502892 0.892319 H\n0.486224 0.493607 0.283051 H\n0.446690 0.020742 0.925096 H\n0.978220 0.816983 0.315443 H\n0.700210 0.688219 0.845785 H\n0.387073 0.814801 0.249164 H\n0.212502 0.365304 0.545949 H\n0.523687 0.497108 0.107681 H\n0.302522 0.093927 0.137842 H\n0.612927 0.185199 0.750836 H\n0.201470 0.587160 0.439468 H\n0.223288 0.923559 0.379985 H\n0.887073 0.185199 0.250836 H\n0.361412 0.219734 0.771078 H\n0.638588 0.780266 0.228922 H\n0.718313 0.120537 0.041681 H\n0.021780 0.183017 0.684557 H\n0.506667 0.204890 0.785983 C\n0.620506 0.740669 0.961751 C\n0.866465 0.093115 0.581052 C\n0.120506 0.259331 0.538249 C\n0.366465 0.906885 0.918948 C\n0.379494 0.259331 0.038249 C\n0.883420 0.391840 0.600332 C\n0.383420 0.608160 0.899668 C\n0.112200 0.203646 0.646032 C\n0.616580 0.391840 0.100332 C\n0.493333 0.795110 0.214017 C\n0.116580 0.608160 0.399668 C\n0.387800 0.203646 0.146032 C\n0.006667 0.795110 0.714017 C\n0.133535 0.906885 0.418948 C\n0.887800 0.796354 0.353968 C\n0.879494 0.740669 0.461751 C\n0.633535 0.093115 0.081052 C\n0.993333 0.204890 0.285983 C\n0.612200 0.796354 0.853968 C\n0.004151 0.763360 0.408448 N\n0.504151 0.236640 0.091552 N\n0.495849 0.763360 0.908448 N\n0.995849 0.236640 0.591552 N\n0.046385 0.797921 0.660942 O\n0.953615 0.202079 0.339058 O\n0.453615 0.797921 0.160942 O\n0.546385 0.202079 0.839058 O\n0.057664 0.123347 0.817590 F\n0.032637 0.490021 0.739118 F\n0.665713 0.722003 0.584533 F\n0.514353 0.497585 0.346129 F\n0.913529 0.042567 0.927719 F\n0.942336 0.876653 0.182410 F\n0.834287 0.722003 0.084533 F\n0.985647 0.497585 0.846129 F\n0.165713 0.277997 0.915467 F\n0.967363 0.509979 0.260882 F\n0.413529 0.957433 0.572281 F\n0.333811 0.639181 0.542796 F\n0.586471 0.042567 0.427719 F\n0.532637 0.509979 0.760882 F\n0.334287 0.277997 0.415467 F\n0.014353 0.502415 0.153871 F\n0.557664 0.876653 0.682410 F\n0.833811 0.360819 0.957204 F\n0.166189 0.639181 0.042796 F\n0.485647 0.502415 0.653871 F\n0.086471 0.957433 0.072281 F\n0.666189 0.360819 0.457204 F\n0.467363 0.490021 0.239118 F\n0.442336 0.123347 0.317590 F\n",
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"elements": [
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"C",
"N",
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"density": 1.7680229742499316,
"density_atomic": 0.08904230403693517,
"volume": 1302.7515544957446,
"volume_molar": 6.763235548691538,
"formula_full": "Te4 H60 C20 N4 O4 F24",
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"updated_at": "2021-11-28T01:38:13.012000Z",
"spacegroup": 14
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{
"id": "mp-770733",
"created_at": "2022-09-04T14:47:37.631378Z",
"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",
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{
"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-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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{
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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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{
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{
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"structure_string": "Li1 Mn1 Ir2\n1.0\n0.000000 2.944692 2.944692\n2.944692 0.000000 2.944692\n2.944692 2.944692 0.000000\nLi Mn Ir\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Mn\n0.250000 0.250000 0.250000 Ir\n0.750000 0.750000 0.750000 Ir\n",
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{
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"structure_string": "Cr1 Ga1 Tc2\n1.0\n-4.612810 5.178686 7.298910\n4.612810 -5.178686 7.298910\n4.612810 5.178686 -7.298910\nCr Ga Tc\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Cr\n0.000000 0.500000 0.500000 Ga\n0.000000 0.231431 0.231431 Tc\n0.000000 0.768569 0.768569 Tc\n",
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{
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"structure_string": "Tb2 Mn3 Sb3 O14\n1.0\n3.684835 6.181509 0.000000\n-3.684835 6.181509 0.000000\n0.000000 4.084801 6.045937\nTb Mn Sb O\n2 3 3 14\ndirect\n0.500000 0.000000 0.000000 Tb\n0.000000 0.500000 0.000000 Tb\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.500000 0.500000 0.000000 Sb\n0.000000 0.500000 0.500000 Sb\n0.500000 0.000000 0.500000 Sb\n0.883337 0.883337 0.869802 O\n0.116663 0.116663 0.130198 O\n0.591227 0.591227 0.147978 O\n0.171632 0.171632 0.571997 O\n0.173148 0.571862 0.587001 O\n0.579572 0.170820 0.174441 O\n0.170820 0.579572 0.174441 O\n0.571862 0.173148 0.587001 O\n0.408773 0.408773 0.852022 O\n0.828368 0.828368 0.428003 O\n0.826852 0.428138 0.412999 O\n0.420428 0.829180 0.825559 O\n0.829180 0.420428 0.825559 O\n0.428138 0.826852 0.412999 O\n",
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{
"id": "mp-1207956",
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"structure_string": "U2 Te2 N1\n1.0\n3.147426 0.000000 0.000000\n0.000000 3.147426 0.000000\n0.000000 0.000000 14.285938\nU Te N\n2 2 1\ndirect\n0.500000 0.500000 0.138704 U\n0.500000 0.500000 0.861297 U\n0.500000 0.500000 0.641756 Te\n0.500000 0.500000 0.358244 Te\n0.500000 0.500000 0.000000 N\n",
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]
}