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{
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{
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"structure_string": "Mg1 Ti3 Fe2 Co1 P6 O24\n1.0\n8.483499 -0.091393 -0.095445\n4.288039 -7.630178 -0.033255\n4.314250 -2.572225 -7.236789\nMg Ti Fe Co P O\n1 3 2 1 6 24\ndirect\n0.751751 0.137998 0.357073 Mg\n0.067689 0.639706 0.649470 Ti\n0.427739 0.852706 0.861413 Ti\n0.942751 0.363045 0.346448 Ti\n0.998573 0.998508 0.988166 Fe\n0.490706 0.517520 0.500084 Fe\n0.552766 0.151687 0.147733 Co\n0.269165 0.244831 0.546444 P\n0.235711 0.955874 0.249797 P\n0.257435 0.544032 0.949427 P\n0.747599 0.458346 0.044607 P\n0.749335 0.040714 0.751881 P\n0.752860 0.742335 0.465903 P\n0.034660 0.105128 0.312864 O\n0.074266 0.495888 0.107484 O\n0.108422 0.298657 0.478285 O\n0.236826 0.085798 0.737519 O\n0.471378 0.186254 0.403233 O\n0.267836 0.407144 0.576319 O\n0.222201 0.934418 0.090531 O\n0.259247 0.760422 0.408069 O\n0.564700 0.611503 0.006398 O\n0.266934 0.569580 0.756316 O\n0.777116 0.255688 0.071611 O\n0.563901 0.996696 0.828058 O\n0.402507 0.011981 0.195415 O\n0.226064 0.740201 0.939151 O\n0.723567 0.433617 0.245251 O\n0.440828 0.394621 0.981173 O\n0.725638 0.226756 0.578031 O\n0.783462 0.061413 0.895227 O\n0.730443 0.597084 0.431677 O\n0.572551 0.806488 0.622866 O\n0.784090 0.915704 0.286459 O\n0.933743 0.654562 0.519270 O\n0.928261 0.504242 0.893195 O\n0.922898 0.884570 0.677148 O\n",
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},
{
"id": "mp-1221775",
"created_at": "2022-09-04T14:44:24.938412Z",
"structure_string": "Mn2 H14 C6 N2 O12\n1.0\n-3.705850 -6.418719 0.000000\n-3.813123 6.480653 0.088078\n0.100540 -0.058047 -8.580217\nMn H C N O\n2 14 6 2 12\ndirect\n0.665376 0.332729 0.749597 Mn\n0.332647 0.667271 0.250403 Mn\n0.002209 0.580997 0.501450 H\n0.578670 0.000000 0.500000 H\n0.421212 0.419003 0.498550 H\n0.003239 0.421722 0.001434 H\n0.421578 0.000000 0.000000 H\n0.581517 0.578278 0.998566 H\n0.103166 0.075410 0.657905 H\n0.916493 0.849381 0.721757 H\n0.027756 0.924590 0.342095 H\n0.067112 0.150619 0.278243 H\n0.077477 0.970353 0.157452 H\n0.847750 0.933451 0.222095 H\n0.107124 0.029647 0.842548 H\n0.914299 0.066549 0.777905 H\n0.998706 0.431813 0.497657 C\n0.429281 0.000000 0.500000 C\n0.566893 0.568187 0.502343 C\n0.999591 0.567147 0.001255 C\n0.571325 0.000000 0.000000 C\n0.432444 0.432853 0.998745 C\n0.007862 0.003856 0.750052 N\n0.004005 0.996144 0.249948 N\n0.890185 0.302701 0.598202 O\n0.403289 0.109146 0.603295 O\n0.700598 0.595903 0.607546 O\n0.587484 0.697299 0.401798 O\n0.294143 0.890854 0.396705 O\n0.104695 0.404097 0.392454 O\n0.108903 0.703657 0.104082 O\n0.597850 0.896893 0.103987 O\n0.300797 0.412576 0.101043 O\n0.405246 0.296343 0.895918 O\n0.700957 0.103107 0.896013 O\n0.888221 0.587424 0.898957 O\n",
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"formula_full": "Mn2 H14 C6 N2 O12",
"formula_reduced": "MnH7C3NO6",
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{
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"structure_string": "Zn4 P8 H60 C20 N4 O36\n1.0\n10.461894 0.000000 0.000000\n0.000000 10.659129 0.000000\n0.000000 0.000000 11.909916\nZn P H C N O\n4 8 60 20 4 36\ndirect\n0.447199 0.705627 0.377656 Zn\n0.052801 0.294373 0.877656 Zn\n0.947199 0.794373 0.622344 Zn\n0.552801 0.205627 0.122344 Zn\n0.690142 0.655837 0.542581 P\n0.809858 0.344163 0.042581 P\n0.190142 0.844163 0.457419 P\n0.309858 0.155837 0.957419 P\n0.486594 0.933580 0.201628 P\n0.013406 0.066420 0.701628 P\n0.986594 0.566420 0.798372 P\n0.513406 0.433580 0.298372 P\n0.717459 0.547792 0.382655 H\n0.782541 0.452208 0.882655 H\n0.217459 0.952208 0.617345 H\n0.282541 0.047792 0.117345 H\n0.464655 0.813928 0.045491 H\n0.035345 0.186072 0.545491 H\n0.964655 0.686072 0.954509 H\n0.535345 0.313928 0.454509 H\n0.753223 0.545661 0.693480 H\n0.746777 0.454339 0.193480 H\n0.253223 0.954339 0.306520 H\n0.246777 0.045661 0.806520 H\n0.731671 0.971438 0.688973 H\n0.768329 0.028562 0.188973 H\n0.231671 0.528562 0.311027 H\n0.268329 0.471439 0.811027 H\n0.469747 0.043763 0.485659 H\n0.030253 0.956237 0.985659 H\n0.969747 0.456237 0.514341 H\n0.530253 0.543763 0.014341 H\n0.638554 0.021071 0.493164 H\n0.861446 0.978929 0.993164 H\n0.138554 0.478929 0.506836 H\n0.361446 0.521071 0.006836 H\n0.530756 0.880444 0.626972 H\n0.969244 0.119556 0.126972 H\n0.030756 0.619556 0.373028 H\n0.469244 0.380444 0.873028 H\n0.449526 0.010656 0.691079 H\n0.050474 0.989344 0.191079 H\n0.949526 0.489344 0.308921 H\n0.550474 0.510656 0.808921 H\n0.574591 0.172140 0.790780 H\n0.925409 0.827860 0.290780 H\n0.074591 0.327860 0.209220 H\n0.425409 0.672140 0.709220 H\n0.745869 0.156920 0.796762 H\n0.754131 0.843080 0.296762 H\n0.245869 0.343080 0.203238 H\n0.254131 0.656920 0.703238 H\n0.764190 0.178921 0.591403 H\n0.735810 0.821079 0.091403 H\n0.264190 0.321079 0.408597 H\n0.235810 0.678921 0.908597 H\n0.681321 0.311153 0.647046 H\n0.818679 0.688847 0.147046 H\n0.181321 0.188847 0.352954 H\n0.318679 0.811153 0.852954 H\n0.625529 0.832476 0.812657 H\n0.874471 0.167524 0.312657 H\n0.125529 0.667524 0.187343 H\n0.374471 0.332476 0.687343 H\n0.713361 0.952417 0.883921 H\n0.786639 0.047583 0.383921 H\n0.213361 0.547583 0.116079 H\n0.286639 0.452417 0.616079 H\n0.542666 0.964873 0.872584 H\n0.957334 0.035127 0.372584 H\n0.042666 0.535127 0.127416 H\n0.457334 0.464873 0.627416 H\n0.553905 0.056076 0.538876 C\n0.946095 0.943924 0.038876 C\n0.053905 0.443924 0.461124 C\n0.446095 0.556076 0.961124 C\n0.535843 0.981004 0.645985 C\n0.964157 0.018996 0.145985 C\n0.035843 0.518996 0.354015 C\n0.464157 0.481004 0.854015 C\n0.660515 0.142442 0.744865 C\n0.839485 0.857558 0.244865 C\n0.160515 0.357558 0.255135 C\n0.339485 0.642442 0.755135 C\n0.675404 0.209702 0.633296 C\n0.824596 0.790298 0.133296 C\n0.175404 0.290298 0.366704 C\n0.324596 0.709702 0.866704 C\n0.630268 0.932806 0.831404 C\n0.869732 0.067194 0.331404 C\n0.130268 0.567194 0.168596 C\n0.369732 0.432806 0.668596 C\n0.646351 0.003399 0.724340 N\n0.853649 0.996601 0.224340 N\n0.146351 0.496601 0.275660 N\n0.353649 0.503399 0.775660 N\n0.575038 0.049060 0.208501 O\n0.924962 0.950940 0.708501 O\n0.075038 0.450940 0.791499 O\n0.424962 0.549060 0.291499 O\n0.525530 0.841579 0.293952 O\n0.974470 0.158421 0.793952 O\n0.025530 0.658421 0.706048 O\n0.474470 0.341579 0.206048 O\n0.765709 0.608928 0.435626 O\n0.734291 0.391072 0.935626 O\n0.265709 0.891072 0.564374 O\n0.234291 0.108928 0.064374 O\n0.550850 0.686172 0.514396 O\n0.949150 0.313828 0.014396 O\n0.050850 0.813828 0.485604 O\n0.449150 0.186172 0.985604 O\n0.763415 0.766261 0.592141 O\n0.736585 0.233739 0.092141 O\n0.263415 0.733739 0.407859 O\n0.236585 0.266261 0.907859 O\n0.342461 0.963575 0.203214 O\n0.157539 0.036425 0.703214 O\n0.842461 0.536425 0.796786 O\n0.657539 0.463575 0.296786 O\n0.521504 0.876899 0.079872 O\n0.978496 0.123101 0.579872 O\n0.021504 0.623101 0.920128 O\n0.478496 0.376899 0.420128 O\n0.684999 0.544125 0.630952 O\n0.815001 0.455875 0.130952 O\n0.184999 0.955875 0.369048 O\n0.315001 0.044125 0.869048 O\n0.566991 0.188196 0.560973 O\n0.933009 0.811804 0.060973 O\n0.066991 0.311804 0.439027 O\n0.433009 0.688196 0.939027 O\n",
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"formula_full": "Zn4 P8 H60 C20 N4 O36",
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{
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{
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{
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{
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{
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