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{
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{
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"structure_string": "Ge4 H24 C4 I12 N4\n1.0\n8.618630 0.000000 0.000000\n0.012876 8.626262 0.000000\n0.080411 0.078822 12.380398\nGe H C I N\n4 24 4 12 4\ndirect\n0.996204 0.997539 0.020277 Ge\n0.503341 0.501748 0.520270 Ge\n0.996794 0.002254 0.520251 Ge\n0.495684 0.497205 0.020274 Ge\n0.583011 0.080803 0.702177 H\n0.379723 0.036039 0.705654 H\n0.605391 0.967804 0.883053 H\n0.419307 0.917526 0.884752 H\n0.466034 0.104408 0.885696 H\n0.079071 0.584724 0.700448 H\n0.878196 0.529928 0.705198 H\n0.109392 0.477134 0.880962 H\n0.925454 0.417161 0.886042 H\n0.964720 0.606189 0.883608 H\n0.115982 0.509854 0.201463 H\n0.929928 0.604101 0.204512 H\n0.067760 0.409919 0.382423 H\n0.890596 0.488893 0.385603 H\n0.047724 0.601624 0.383541 H\n0.578364 0.084825 0.201179 H\n0.378905 0.024774 0.205447 H\n0.609079 0.980601 0.382951 H\n0.426335 0.916959 0.387294 H\n0.461797 0.106535 0.383132 H\n0.941885 0.396447 0.204068 H\n0.025915 0.383518 0.703679 H\n0.520312 0.882486 0.703835 H\n0.530341 0.882262 0.205350 H\n0.496296 0.997457 0.232421 C\n0.995129 0.499353 0.731573 C\n0.996930 0.502286 0.231840 C\n0.495367 0.999999 0.732369 C\n0.999019 0.999988 0.242890 I\n0.498307 0.499461 0.742756 I\n0.998637 0.999313 0.742733 I\n0.501180 0.499462 0.242822 I\n0.758700 0.256027 0.009390 I\n0.254911 0.754757 0.508625 I\n0.750842 0.763474 0.008047 I\n0.242514 0.255031 0.507937 I\n0.246617 0.744285 0.008041 I\n0.743623 0.243369 0.509426 I\n0.263357 0.250880 0.009230 I\n0.755434 0.742103 0.508982 I\n0.499228 0.000935 0.352882 N\n0.999612 0.500642 0.851970 N\n0.000246 0.500973 0.352256 N\n0.497474 0.998165 0.852829 N\n",
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"elements": [
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"formula_full": "Ge4 H24 C4 I12 N4",
"formula_reduced": "GeH6CI3N",
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{
"id": "mp-1094027",
"created_at": "2022-09-04T14:43:56.704221Z",
"structure_string": "Tm2 Te2\n1.0\n2.136153 -3.699926 0.000000\n2.136153 3.699926 0.000000\n0.000000 0.000000 7.236540\nTm Te\n2 2\ndirect\n0.000000 0.000000 0.500000 Tm\n0.000000 0.000000 0.000000 Tm\n0.333333 0.666667 0.250000 Te\n0.666667 0.333333 0.750000 Te\n",
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"formula_full": "Tm2 Te2",
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{
"id": "mp-690711",
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"structure_string": "Tl4 P4 H8 O16\n1.0\n4.629444 0.000000 0.000000\n0.000000 6.564784 0.000000\n0.000000 0.461966 14.633098\nTl P H O\n4 4 8 16\ndirect\n0.502167 0.735081 0.632227 Tl\n0.002167 0.264919 0.867773 Tl\n0.497833 0.264919 0.367773 Tl\n0.997833 0.735081 0.132227 Tl\n0.482537 0.760468 0.880882 P\n0.982537 0.239532 0.619118 P\n0.517463 0.239532 0.119118 P\n0.017463 0.760468 0.380882 P\n0.500000 0.000000 0.000000 H\n0.000000 0.000000 0.500000 H\n0.500000 0.500000 0.000000 H\n0.000000 0.500000 0.500000 H\n0.024575 0.760273 0.822965 H\n0.524575 0.239727 0.677035 H\n0.975425 0.239727 0.177035 H\n0.475425 0.760273 0.322965 H\n0.594478 0.957060 0.926410 O\n0.094478 0.042940 0.573590 O\n0.405522 0.042940 0.073590 O\n0.905522 0.957060 0.426410 O\n0.348522 0.610568 0.953696 O\n0.848522 0.389432 0.546304 O\n0.651478 0.389432 0.046304 O\n0.151478 0.610568 0.453696 O\n0.224905 0.828938 0.814576 O\n0.724905 0.171062 0.685424 O\n0.775095 0.171062 0.185424 O\n0.275095 0.828938 0.314576 O\n0.721682 0.668309 0.823221 O\n0.221682 0.331691 0.676779 O\n0.278318 0.331691 0.176779 O\n0.778318 0.668309 0.323221 O\n",
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"density": 4.501158754561471,
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"formula_full": "Tl4 P4 H8 O16",
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{
"id": "mp-1193627",
"created_at": "2022-09-04T14:43:56.757524Z",
"structure_string": "Na2 Ca2 Be4 B4 O12 F2\n1.0\n4.054857 2.334676 0.000000\n-4.054857 2.334676 0.000000\n0.000000 0.013632 14.384697\nNa Ca Be B O F\n2 2 4 4 12 2\ndirect\n0.113181 0.116562 0.364530 Na\n0.116562 0.113181 0.864530 Na\n0.111559 0.096192 0.612245 Ca\n0.096192 0.111559 0.112245 Ca\n0.749310 0.427390 0.474447 Be\n0.427390 0.749310 0.974447 Be\n0.784043 0.423432 0.248952 Be\n0.423432 0.784043 0.748952 Be\n0.465684 0.771697 0.222151 B\n0.771697 0.465684 0.722151 B\n0.418588 0.775664 0.500492 B\n0.775664 0.418588 0.000492 B\n0.455127 0.501137 0.497095 O\n0.501137 0.455127 0.997095 O\n0.684039 0.084714 0.520789 O\n0.084714 0.684039 0.020789 O\n0.109399 0.743475 0.488166 O\n0.743475 0.109399 0.988166 O\n0.743454 0.737174 0.228263 O\n0.737174 0.743454 0.728263 O\n0.157065 0.497840 0.234498 O\n0.497840 0.157065 0.734498 O\n0.513331 0.080857 0.198858 O\n0.080857 0.513331 0.698858 O\n0.705220 0.330465 0.361112 F\n0.330465 0.705220 0.861112 F\n",
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{
"id": "mp-1095566",
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"structure_string": "La2 Co8 B2\n1.0\n2.561268 -4.436246 0.000000\n2.561268 4.436246 0.000000\n0.000000 0.000000 6.833887\nLa Co B\n2 8 2\ndirect\n0.000000 0.000000 0.000000 La\n0.000000 0.000000 0.500000 La\n0.666667 0.333333 0.500000 Co\n0.333333 0.666667 0.500000 Co\n0.500000 0.500000 0.789607 Co\n0.500000 0.000000 0.789607 Co\n0.000000 0.500000 0.789607 Co\n0.500000 0.500000 0.210393 Co\n0.500000 0.000000 0.210393 Co\n0.000000 0.500000 0.210393 Co\n0.666667 0.333333 0.000000 B\n0.333333 0.666667 0.000000 B\n",
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"formula_full": "La2 Co8 B2",
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{
"id": "mp-758881",
"created_at": "2022-09-04T14:43:56.867575Z",
"structure_string": "Li16 Mn8 Si16 O52\n1.0\n4.943729 0.000000 0.000000\n0.000000 14.170745 0.000000\n0.000000 0.000000 14.252816\nLi Mn Si O\n16 8 16 52\ndirect\n0.182009 0.039346 0.224900 Li\n0.682957 0.113548 0.920150 Li\n0.663080 0.127758 0.111782 Li\n0.249944 0.209998 0.835946 Li\n0.749944 0.290002 0.335946 Li\n0.163080 0.372242 0.611782 Li\n0.182957 0.386452 0.420150 Li\n0.682009 0.460654 0.724900 Li\n0.317991 0.539346 0.224900 Li\n0.817043 0.613548 0.920150 Li\n0.836920 0.627758 0.111782 Li\n0.250056 0.709998 0.835946 Li\n0.750056 0.790002 0.335946 Li\n0.336920 0.872242 0.611782 Li\n0.317043 0.886452 0.420150 Li\n0.817991 0.960654 0.724900 Li\n0.354871 0.076989 0.627127 Mn\n0.185593 0.176885 0.420985 Mn\n0.685593 0.323115 0.920985 Mn\n0.854871 0.423011 0.127127 Mn\n0.145129 0.576989 0.627127 Mn\n0.314407 0.676885 0.420985 Mn\n0.814407 0.823115 0.920985 Mn\n0.645129 0.923011 0.127127 Mn\n0.155476 0.017615 0.006301 Si\n0.694806 0.068184 0.321466 Si\n0.852630 0.183882 0.723335 Si\n0.178250 0.224115 0.040909 Si\n0.678250 0.275885 0.540909 Si\n0.352630 0.316118 0.223335 Si\n0.194806 0.431816 0.821466 Si\n0.655476 0.482385 0.506301 Si\n0.344524 0.517615 0.006301 Si\n0.805194 0.568184 0.321466 Si\n0.647370 0.683882 0.723335 Si\n0.321750 0.724115 0.040909 Si\n0.821750 0.775885 0.540909 Si\n0.147370 0.816118 0.223335 Si\n0.305194 0.931816 0.821466 Si\n0.844524 0.982385 0.506301 Si\n0.442594 0.023427 0.061056 O\n0.779493 0.043303 0.213976 O\n0.211998 0.021499 0.891875 O\n0.054801 0.065788 0.532247 O\n0.370248 0.083072 0.337674 O\n0.676056 0.089439 0.702547 O\n0.001399 0.122407 0.026837 O\n0.865451 0.162193 0.350459 O\n0.177248 0.169762 0.703343 O\n0.476722 0.190191 0.514419 O\n0.255223 0.226203 0.154120 O\n0.833244 0.208397 0.834799 O\n0.457265 0.213016 0.980606 O\n0.957265 0.286984 0.480606 O\n0.333244 0.291603 0.334799 O\n0.755223 0.273797 0.654120 O\n0.976722 0.309809 0.014419 O\n0.677248 0.330238 0.203343 O\n0.365451 0.337807 0.850459 O\n0.501399 0.377593 0.526837 O\n0.176056 0.410561 0.202547 O\n0.870248 0.416928 0.837674 O\n0.554801 0.434212 0.032247 O\n0.711998 0.478501 0.391875 O\n0.279493 0.456697 0.713976 O\n0.942594 0.476573 0.561056 O\n0.057406 0.523427 0.061056 O\n0.720507 0.543303 0.213976 O\n0.288002 0.521499 0.891875 O\n0.445199 0.565788 0.532247 O\n0.129752 0.583072 0.337674 O\n0.823944 0.589439 0.702547 O\n0.498601 0.622407 0.026837 O\n0.634549 0.662193 0.350459 O\n0.322752 0.669762 0.703343 O\n0.023278 0.690191 0.514419 O\n0.244777 0.726203 0.154120 O\n0.666756 0.708397 0.834799 O\n0.042735 0.713016 0.980606 O\n0.542735 0.786984 0.480606 O\n0.166756 0.791603 0.334799 O\n0.744777 0.773797 0.654120 O\n0.523278 0.809809 0.014419 O\n0.822752 0.830238 0.203343 O\n0.134549 0.837807 0.850459 O\n0.998601 0.877593 0.526837 O\n0.323944 0.910561 0.202547 O\n0.629752 0.916928 0.837674 O\n0.945199 0.934212 0.032247 O\n0.788002 0.978501 0.391875 O\n0.220507 0.956697 0.713976 O\n0.557406 0.976573 0.561056 O\n",
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{
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{
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