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{
"id": "mp-1217754",
"created_at": "2022-09-04T14:39:29.721484Z",
"structure_string": "Y2 Br6 O36\n1.0\n6.350536 0.000000 0.000000\n0.000000 12.539109 0.000000\n0.000000 5.234700 11.657316\nY Br O\n2 6 36\ndirect\n0.943403 0.853176 0.552946 Y\n0.443403 0.146824 0.447054 Y\n0.772344 0.705855 0.142995 Br\n0.637241 0.156317 0.157466 Br\n0.693680 0.163776 0.705755 Br\n0.272344 0.294145 0.857005 Br\n0.137241 0.843683 0.842534 Br\n0.193680 0.836224 0.294245 Br\n0.820868 0.413045 0.826831 O\n0.675148 0.729014 0.811028 O\n0.731919 0.752146 0.443359 O\n0.320868 0.586955 0.173169 O\n0.175148 0.270986 0.188972 O\n0.231919 0.247854 0.556641 O\n0.892917 0.494329 0.844685 O\n0.125229 0.044202 0.491723 O\n0.902675 0.643419 0.600409 O\n0.068038 0.360586 0.153811 O\n0.061790 0.152717 0.429847 O\n0.280710 0.353100 0.485277 O\n0.392917 0.505671 0.155315 O\n0.625229 0.955798 0.508277 O\n0.402675 0.356581 0.399591 O\n0.568038 0.639414 0.846189 O\n0.561790 0.847283 0.570153 O\n0.780710 0.646900 0.514723 O\n0.801399 0.633195 0.059802 O\n0.595279 0.162919 0.294293 O\n0.751323 0.303995 0.650979 O\n0.815067 0.620769 0.280318 O\n0.660265 0.134637 0.579838 O\n0.686968 0.293922 0.072164 O\n0.301399 0.366805 0.940198 O\n0.095279 0.837081 0.705707 O\n0.251323 0.696005 0.349021 O\n0.315067 0.379231 0.719682 O\n0.160265 0.865363 0.420162 O\n0.186968 0.706078 0.927836 O\n0.934270 0.821398 0.097907 O\n0.857469 0.080928 0.176779 O\n0.906999 0.087370 0.765008 O\n0.434270 0.178602 0.902093 O\n0.357469 0.919072 0.823221 O\n0.406999 0.912630 0.234992 O\n",
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{
"id": "mp-10911",
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"structure_string": "Sc4 Al6 Ru2\n1.0\n2.651038 -4.591733 0.000000\n2.651038 4.591733 0.000000\n0.000000 0.000000 8.551758\nSc Al Ru\n4 6 2\ndirect\n0.333333 0.666667 0.055479 Sc\n0.666667 0.333333 0.555479 Sc\n0.333333 0.666667 0.444521 Sc\n0.666667 0.333333 0.944521 Sc\n0.834879 0.669757 0.250000 Al\n0.165121 0.834879 0.750000 Al\n0.669757 0.834879 0.750000 Al\n0.330243 0.165121 0.250000 Al\n0.834879 0.165121 0.250000 Al\n0.165121 0.330243 0.750000 Al\n0.000000 0.000000 0.500000 Ru\n0.000000 0.000000 0.000000 Ru\n",
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"formula_full": "Sc4 Al6 Ru2",
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{
"id": "mp-1203219",
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"structure_string": "Co4 H48 C4 N16 Cl4 O28\n1.0\n18.414583 0.000000 0.000000\n0.000000 8.405685 0.000000\n0.000000 0.000000 6.982602\nCo H C N Cl O\n4 48 4 16 4 28\ndirect\n0.076549 0.750000 0.109160 Co\n0.576549 0.750000 0.390840 Co\n0.923451 0.250000 0.890840 Co\n0.423451 0.250000 0.609160 Co\n0.151117 0.556535 0.313359 H\n0.651117 0.943465 0.186641 H\n0.848883 0.056535 0.686641 H\n0.348883 0.443465 0.813359 H\n0.848883 0.443465 0.686641 H\n0.348883 0.056535 0.813359 H\n0.151117 0.943465 0.313359 H\n0.651117 0.556535 0.186641 H\n0.076356 0.612057 0.429096 H\n0.576356 0.887943 0.070904 H\n0.923644 0.112057 0.570904 H\n0.423644 0.387943 0.929096 H\n0.923644 0.387943 0.570904 H\n0.423644 0.112057 0.929096 H\n0.076356 0.887943 0.429096 H\n0.576356 0.612057 0.070904 H\n0.071680 0.479516 0.251844 H\n0.571680 0.020484 0.248156 H\n0.928320 0.979516 0.748156 H\n0.428320 0.520484 0.751844 H\n0.928320 0.520484 0.748156 H\n0.428320 0.979516 0.751844 H\n0.071680 0.020484 0.251844 H\n0.571680 0.479516 0.248156 H\n0.186929 0.651633 0.938833 H\n0.686929 0.848367 0.561167 H\n0.813071 0.151633 0.061167 H\n0.313071 0.348367 0.438833 H\n0.813071 0.348367 0.061167 H\n0.313071 0.151633 0.438833 H\n0.186929 0.848367 0.938833 H\n0.686929 0.651633 0.561167 H\n0.215966 0.750000 0.130073 H\n0.715966 0.750000 0.369927 H\n0.784034 0.250000 0.869927 H\n0.284034 0.250000 0.630073 H\n0.948981 0.649875 0.144452 H\n0.448981 0.850125 0.355548 H\n0.051019 0.149875 0.855548 H\n0.551019 0.350125 0.644452 H\n0.051019 0.350125 0.855548 H\n0.551019 0.149875 0.644452 H\n0.948981 0.850125 0.144452 H\n0.448981 0.649875 0.355548 H\n0.970941 0.750000 0.341888 H\n0.470941 0.750000 0.158112 H\n0.029059 0.250000 0.658112 H\n0.529059 0.250000 0.841888 H\n0.040115 0.750000 0.785855 C\n0.540115 0.750000 0.714145 C\n0.959885 0.250000 0.214145 C\n0.459885 0.250000 0.285855 C\n0.097004 0.581268 0.296844 N\n0.597004 0.918732 0.203156 N\n0.902996 0.081268 0.703156 N\n0.402996 0.418732 0.796844 N\n0.902996 0.418732 0.703156 N\n0.402996 0.081268 0.796844 N\n0.097004 0.918732 0.296844 N\n0.597004 0.581268 0.203156 N\n0.974404 0.750000 0.195122 N\n0.474404 0.750000 0.304878 N\n0.025596 0.250000 0.804878 N\n0.525596 0.250000 0.695122 N\n0.178099 0.750000 0.022601 N\n0.678099 0.750000 0.477399 N\n0.821901 0.250000 0.977399 N\n0.321901 0.250000 0.522601 N\n0.272955 0.750000 0.505167 Cl\n0.772955 0.750000 0.994833 Cl\n0.727045 0.250000 0.494833 Cl\n0.227045 0.250000 0.005167 Cl\n0.050625 0.620238 0.888807 O\n0.550625 0.879762 0.611193 O\n0.949375 0.120238 0.111193 O\n0.449375 0.379762 0.388807 O\n0.949375 0.379762 0.111193 O\n0.449375 0.120238 0.388807 O\n0.050625 0.879762 0.888807 O\n0.550625 0.620238 0.611193 O\n0.021622 0.750000 0.612398 O\n0.521622 0.750000 0.887602 O\n0.978378 0.250000 0.387602 O\n0.478378 0.250000 0.112398 O\n0.333665 0.750000 0.639814 O\n0.833665 0.750000 0.860186 O\n0.666335 0.250000 0.360186 O\n0.166335 0.250000 0.139814 O\n0.204156 0.750000 0.608681 O\n0.704156 0.750000 0.891319 O\n0.795844 0.250000 0.391319 O\n0.295844 0.250000 0.108681 O\n0.276628 0.608038 0.382366 O\n0.776628 0.891962 0.117634 O\n0.723372 0.108038 0.617634 O\n0.223372 0.391962 0.882366 O\n0.723372 0.391962 0.617634 O\n0.223372 0.108038 0.882366 O\n0.276628 0.891962 0.382366 O\n0.776628 0.608038 0.117634 O\n",
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"density_atomic": 0.09622347817227868,
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"volume_molar": 6.258494157962104,
"formula_full": "Co4 H48 C4 N16 Cl4 O28",
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{
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"created_at": "2022-09-04T14:39:29.715664Z",
"structure_string": "U4 Mn20 P12\n1.0\n3.632463 0.000000 0.000000\n0.000000 10.631115 0.000000\n0.000000 0.000000 11.925086\nU Mn P\n4 20 12\ndirect\n0.250000 0.582478 0.703009 U\n0.750000 0.417522 0.296991 U\n0.750000 0.082478 0.796991 U\n0.250000 0.917522 0.203009 U\n0.250000 0.405316 0.485172 Mn\n0.750000 0.717672 0.326444 Mn\n0.750000 0.782328 0.826444 Mn\n0.250000 0.282328 0.673556 Mn\n0.250000 0.617633 0.201910 Mn\n0.750000 0.382367 0.798090 Mn\n0.750000 0.117633 0.298090 Mn\n0.250000 0.882367 0.701910 Mn\n0.250000 0.033962 0.432672 Mn\n0.750000 0.966038 0.567328 Mn\n0.750000 0.533962 0.067328 Mn\n0.250000 0.466038 0.932672 Mn\n0.750000 0.905316 0.014828 Mn\n0.250000 0.094684 0.985172 Mn\n0.250000 0.704815 0.989671 Mn\n0.750000 0.295185 0.010329 Mn\n0.750000 0.204815 0.510329 Mn\n0.250000 0.795185 0.489671 Mn\n0.250000 0.217672 0.173556 Mn\n0.750000 0.594684 0.514828 Mn\n0.250000 0.597320 0.394040 P\n0.750000 0.402680 0.605960 P\n0.750000 0.097320 0.105960 P\n0.250000 0.902680 0.894040 P\n0.750000 0.769091 0.630765 P\n0.250000 0.230909 0.369235 P\n0.250000 0.417925 0.114405 P\n0.750000 0.582075 0.885595 P\n0.750000 0.917925 0.385595 P\n0.250000 0.082075 0.614405 P\n0.250000 0.269091 0.869235 P\n0.750000 0.730909 0.130765 P\n",
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{
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{
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{
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{
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