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{
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"structure_string": "Lu12 Ga42 Co14\n1.0\n0.000000 0.000000 4.106455\n16.512025 0.000000 0.000000\n0.000000 16.512025 0.000000\nLu Ga Co\n12 42 14\ndirect\n0.500000 0.108424 0.608424 Lu\n0.500000 0.891576 0.391576 Lu\n0.500000 0.391576 0.108424 Lu\n0.500000 0.608424 0.891576 Lu\n0.000000 0.656613 0.586253 Lu\n0.000000 0.343387 0.413747 Lu\n0.000000 0.843387 0.086253 Lu\n0.000000 0.156613 0.913747 Lu\n0.000000 0.586253 0.343387 Lu\n0.000000 0.413747 0.656613 Lu\n0.000000 0.086253 0.156613 Lu\n0.000000 0.913747 0.843387 Lu\n0.000000 0.000000 0.500000 Ga\n0.000000 0.500000 0.000000 Ga\n0.000000 0.320613 0.820613 Ga\n0.000000 0.679387 0.179387 Ga\n0.000000 0.179387 0.320613 Ga\n0.000000 0.820613 0.679387 Ga\n0.500000 0.426198 0.926198 Ga\n0.500000 0.573802 0.073802 Ga\n0.500000 0.073802 0.426198 Ga\n0.500000 0.926198 0.573802 Ga\n0.000000 0.575355 0.757454 Ga\n0.000000 0.424645 0.242546 Ga\n0.000000 0.924645 0.257454 Ga\n0.000000 0.075355 0.742546 Ga\n0.000000 0.757454 0.424645 Ga\n0.000000 0.242546 0.575355 Ga\n0.000000 0.257454 0.075355 Ga\n0.000000 0.742546 0.924645 Ga\n0.500000 0.532559 0.612012 Ga\n0.500000 0.467441 0.387988 Ga\n0.500000 0.967441 0.112012 Ga\n0.500000 0.032559 0.887988 Ga\n0.500000 0.612012 0.467441 Ga\n0.500000 0.387988 0.532559 Ga\n0.500000 0.112012 0.032559 Ga\n0.500000 0.887988 0.967441 Ga\n0.500000 0.679770 0.707857 Ga\n0.500000 0.320230 0.292143 Ga\n0.500000 0.820230 0.207857 Ga\n0.500000 0.179770 0.792143 Ga\n0.500000 0.707857 0.320230 Ga\n0.500000 0.292143 0.679770 Ga\n0.500000 0.207857 0.179770 Ga\n0.500000 0.792143 0.820230 Ga\n0.500000 0.770778 0.544189 Ga\n0.500000 0.229222 0.455811 Ga\n0.500000 0.729222 0.044189 Ga\n0.500000 0.270778 0.955811 Ga\n0.500000 0.544189 0.229222 Ga\n0.500000 0.455811 0.770778 Ga\n0.500000 0.044189 0.270778 Ga\n0.500000 0.955811 0.729222 Ga\n0.000000 0.218604 0.718604 Co\n0.000000 0.781396 0.281396 Co\n0.000000 0.281396 0.218604 Co\n0.000000 0.718604 0.781396 Co\n0.000000 0.965480 0.648565 Co\n0.000000 0.034520 0.351435 Co\n0.000000 0.534520 0.148565 Co\n0.000000 0.465480 0.851435 Co\n0.000000 0.648565 0.034520 Co\n0.000000 0.351435 0.965480 Co\n0.000000 0.148565 0.465480 Co\n0.000000 0.851435 0.534520 Co\n0.000000 0.500000 0.500000 Co\n0.000000 0.000000 0.000000 Co\n",
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"formula_full": "Lu12 Ga42 Co14",
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"spacegroup": 127
},
{
"id": "mp-760227",
"created_at": "2022-09-04T14:46:55.925736Z",
"structure_string": "Li4 Fe8 B8 O24\n1.0\n5.209820 0.000000 0.000000\n0.056762 9.088475 0.000000\n0.166749 0.199477 10.213322\nLi Fe B O\n4 8 8 24\ndirect\n0.147021 0.172936 0.662481 Li\n0.185265 0.165445 0.166049 Li\n0.327001 0.333205 0.408235 Li\n0.334129 0.323576 0.916303 Li\n0.162662 0.829791 0.631784 Fe\n0.183669 0.508637 0.131671 Fe\n0.316425 0.988016 0.879714 Fe\n0.335550 0.671181 0.374477 Fe\n0.660079 0.349505 0.628269 Fe\n0.670268 0.995840 0.126561 Fe\n0.830070 0.150079 0.386286 Fe\n0.834552 0.504254 0.880201 Fe\n0.154722 0.499203 0.622598 B\n0.161849 0.839246 0.134651 B\n0.343049 0.998065 0.376511 B\n0.338715 0.659056 0.871641 B\n0.668457 0.002590 0.633012 B\n0.678551 0.323451 0.119984 B\n0.827879 0.496002 0.374954 B\n0.821489 0.174691 0.881196 B\n0.096109 0.496981 0.345360 O\n0.085745 0.171053 0.863800 O\n0.207563 0.782232 0.824269 O\n0.235265 0.871082 0.431861 O\n0.210396 0.130364 0.370109 O\n0.199273 0.535388 0.917098 O\n0.280792 0.366110 0.605631 O\n0.302218 0.964704 0.092750 O\n0.261206 0.629958 0.573981 O\n0.291962 0.716151 0.182206 O\n0.412192 0.324805 0.117369 O\n0.400975 0.002337 0.662042 O\n0.587835 0.991833 0.322942 O\n0.596264 0.656422 0.877918 O\n0.684123 0.303989 0.845738 O\n0.713370 0.363865 0.415261 O\n0.684466 0.620443 0.366841 O\n0.682066 0.057452 0.931830 O\n0.821085 0.442263 0.075356 O\n0.811981 0.877861 0.637688 O\n0.785628 0.136013 0.597225 O\n0.810758 0.196435 0.163635 O\n0.904984 0.841916 0.125638 O\n0.918769 0.502001 0.685358 O\n",
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"formula_full": "Li4 Fe8 B8 O24",
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{
"id": "mp-1172917",
"created_at": "2022-09-04T14:44:26.051779Z",
"structure_string": "Cr6 P8 O28\n1.0\n5.280085 0.000000 0.000000\n1.736828 6.173816 0.000000\n2.545605 1.145022 15.984264\nCr P O\n6 8 28\ndirect\n0.041948 0.626802 0.821543 Cr\n0.810250 0.723058 0.407492 Cr\n0.763658 0.021973 0.682921 Cr\n0.189750 0.276942 0.592508 Cr\n0.236342 0.978027 0.317079 Cr\n0.958052 0.373198 0.178457 Cr\n0.188238 0.101129 0.796113 P\n0.557531 0.231737 0.075420 P\n0.307207 0.772536 0.547500 P\n0.442469 0.768263 0.924580 P\n0.811762 0.898871 0.203887 P\n0.692793 0.227464 0.452500 P\n0.374247 0.434094 0.315807 P\n0.625753 0.565906 0.684193 P\n0.429730 0.302073 0.404959 O\n0.882529 0.028087 0.410038 O\n0.575425 0.166686 0.541381 O\n0.810402 0.340015 0.661670 O\n0.117471 0.971913 0.589962 O\n0.003162 0.953928 0.787665 O\n0.996838 0.046072 0.212335 O\n0.784483 0.697141 0.720241 O\n0.424575 0.833314 0.458619 O\n0.657254 0.151771 0.989655 O\n0.638326 0.877964 0.290980 O\n0.969687 0.681546 0.173791 O\n0.361674 0.122036 0.709020 O\n0.287175 0.617458 0.900133 O\n0.828930 0.409709 0.446702 O\n0.030313 0.318454 0.826209 O\n0.712825 0.382542 0.099867 O\n0.363175 0.553255 0.731540 O\n0.570270 0.697927 0.595041 O\n0.258613 0.328655 0.091453 O\n0.601720 0.019904 0.145046 O\n0.189598 0.659985 0.338330 O\n0.636825 0.446745 0.268460 O\n0.741387 0.671345 0.908547 O\n0.398280 0.980096 0.854954 O\n0.342746 0.848229 0.010345 O\n0.215517 0.302859 0.279759 O\n0.171070 0.590291 0.553298 O\n",
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{
"id": "mp-504649",
"created_at": "2022-09-04T14:47:09.383390Z",
"structure_string": "Rb4 Cr8 Fe4 O32\n1.0\n5.544348 0.000000 0.000000\n0.000000 8.977851 0.000000\n0.000000 0.000000 14.971244\nRb Cr Fe O\n4 8 4 32\ndirect\n0.250000 0.949386 0.379549 Rb\n0.750000 0.050614 0.620451 Rb\n0.750000 0.449386 0.120451 Rb\n0.250000 0.550614 0.879549 Rb\n0.750000 0.244260 0.336129 Cr\n0.250000 0.755740 0.663871 Cr\n0.250000 0.744260 0.163871 Cr\n0.750000 0.255740 0.836129 Cr\n0.750000 0.681602 0.436684 Cr\n0.250000 0.318398 0.563316 Cr\n0.250000 0.181602 0.063316 Cr\n0.750000 0.818398 0.936684 Cr\n0.250000 0.493132 0.343566 Fe\n0.750000 0.506868 0.656434 Fe\n0.750000 0.993132 0.156434 Fe\n0.250000 0.006868 0.843566 Fe\n0.750000 0.858796 0.459744 O\n0.250000 0.141204 0.540256 O\n0.250000 0.358796 0.040256 O\n0.750000 0.641204 0.959744 O\n0.250000 0.712433 0.057989 O\n0.750000 0.287567 0.942011 O\n0.750000 0.212433 0.442011 O\n0.250000 0.787567 0.557989 O\n0.250000 0.418934 0.470083 O\n0.750000 0.581066 0.529917 O\n0.750000 0.918934 0.029917 O\n0.250000 0.081066 0.970083 O\n0.250000 0.577940 0.217505 O\n0.750000 0.422060 0.782495 O\n0.750000 0.077940 0.282495 O\n0.250000 0.922060 0.717505 O\n0.996377 0.342914 0.307604 O\n0.496377 0.657086 0.692396 O\n0.003623 0.842914 0.192396 O\n0.503623 0.157086 0.807604 O\n0.003623 0.657086 0.692396 O\n0.503623 0.342914 0.307604 O\n0.996377 0.157086 0.807604 O\n0.496377 0.842914 0.192396 O\n0.002349 0.143868 0.124644 O\n0.502349 0.856132 0.875356 O\n0.997651 0.643868 0.375356 O\n0.497651 0.356132 0.624644 O\n0.997651 0.856132 0.875356 O\n0.497651 0.143868 0.124644 O\n0.002349 0.356132 0.624644 O\n0.502349 0.643868 0.375356 O\n",
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{
"id": "mp-1177738",
"created_at": "2022-09-04T14:39:37.105845Z",
"structure_string": "Li6 Fe4 P4 C4 O28\n1.0\n8.185284 0.000000 0.000000\n-1.826210 7.985763 0.000000\n-2.720241 -3.381115 8.316130\nLi Fe P C O\n6 4 4 4 28\ndirect\n0.939170 0.189935 0.896318 Li\n0.443377 0.687835 0.899782 Li\n0.003813 0.464745 0.718968 Li\n0.285819 0.252965 0.279047 Li\n0.064187 0.809886 0.106863 Li\n0.558289 0.309197 0.101627 Li\n0.059939 0.816780 0.668663 Fe\n0.562780 0.313748 0.676257 Fe\n0.934640 0.188644 0.331093 Fe\n0.442713 0.695736 0.328717 Fe\n0.303899 0.546643 0.576133 P\n0.798301 0.055980 0.578358 P\n0.697777 0.447597 0.424328 P\n0.203940 0.953016 0.422504 P\n0.757374 0.503433 0.955234 C\n0.248170 0.003344 0.960248 C\n0.748926 0.995082 0.038966 C\n0.241858 0.495957 0.041187 C\n0.111001 0.860019 0.925250 O\n0.611652 0.367353 0.918800 O\n0.640943 0.885384 0.901237 O\n0.781460 0.517994 0.824916 O\n0.121227 0.403642 0.901451 O\n0.281677 0.020822 0.836811 O\n0.914369 0.983726 0.691422 O\n0.724583 0.168337 0.695121 O\n0.212587 0.641739 0.683691 O\n0.421319 0.479005 0.696219 O\n0.855107 0.583690 0.580060 O\n0.924071 0.194858 0.537898 O\n0.420796 0.676171 0.527116 O\n0.353702 0.098809 0.576884 O\n0.654205 0.910515 0.424448 O\n0.556483 0.326552 0.467838 O\n0.074917 0.835659 0.474154 O\n0.164212 0.387710 0.421080 O\n0.590934 0.528407 0.315226 O\n0.764903 0.327517 0.308596 O\n0.269827 0.832284 0.307460 O\n0.096010 0.033678 0.309044 O\n0.725783 0.971983 0.165294 O\n0.862385 0.610156 0.092820 O\n0.233265 0.458275 0.165867 O\n0.342729 0.121039 0.100898 O\n0.380307 0.636861 0.074405 O\n0.886563 0.135306 0.071703 O\n",
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{
"id": "mp-733612",
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"structure_string": "Rb4 H12 S8 O32\n1.0\n12.649791 0.000000 0.000000\n0.000000 7.513643 0.000000\n0.000000 0.303813 8.004072\nRb H S O\n4 12 8 32\ndirect\n0.933264 0.284784 0.657523 Rb\n0.433264 0.715216 0.842477 Rb\n0.066736 0.715216 0.342477 Rb\n0.566736 0.284784 0.157523 Rb\n0.253748 0.381359 0.119777 H\n0.753748 0.618641 0.380223 H\n0.746252 0.618641 0.880223 H\n0.246252 0.381359 0.619777 H\n0.660360 0.987001 0.727304 H\n0.160360 0.012999 0.772696 H\n0.339640 0.012999 0.272696 H\n0.839640 0.987001 0.227304 H\n0.455981 0.169184 0.608922 H\n0.955981 0.830816 0.891078 H\n0.544019 0.830816 0.391078 H\n0.044019 0.169184 0.108922 H\n0.194608 0.234349 0.335838 S\n0.694608 0.765651 0.164162 S\n0.805392 0.765651 0.664162 S\n0.305392 0.234349 0.835838 S\n0.611094 0.261685 0.667700 S\n0.111094 0.738315 0.832300 S\n0.388906 0.738315 0.332300 S\n0.888906 0.261685 0.167700 S\n0.124369 0.102198 0.262842 O\n0.624369 0.897802 0.237158 O\n0.875631 0.897802 0.737158 O\n0.375631 0.102198 0.762842 O\n0.152617 0.307935 0.489319 O\n0.652617 0.692065 0.010681 O\n0.847383 0.692065 0.510681 O\n0.347383 0.307935 0.989319 O\n0.303724 0.167413 0.358365 O\n0.803724 0.832587 0.141635 O\n0.696276 0.832587 0.641635 O\n0.196276 0.167413 0.858365 O\n0.199104 0.401168 0.209411 O\n0.699104 0.598832 0.290589 O\n0.800896 0.598832 0.790589 O\n0.300896 0.401168 0.709411 O\n0.703047 0.292785 0.564513 O\n0.203047 0.707215 0.935487 O\n0.296953 0.707215 0.435487 O\n0.796953 0.292785 0.064513 O\n0.572924 0.401843 0.769869 O\n0.072924 0.598157 0.730131 O\n0.427076 0.598157 0.230131 O\n0.927076 0.401843 0.269869 O\n0.626284 0.095654 0.788286 O\n0.126284 0.904346 0.711714 O\n0.373716 0.904346 0.211714 O\n0.873716 0.095654 0.288286 O\n0.521818 0.203987 0.542028 O\n0.021818 0.796013 0.957972 O\n0.478182 0.796013 0.457972 O\n0.978182 0.203987 0.042028 O\n",
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"formula_full": "Rb4 H12 S8 O32",
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},
{
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