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{
"id": "mp-849362",
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"structure_string": "Na28 Co4 O18\n1.0\n6.659657 0.000277 0.000093\n-3.329463 5.768040 9.382298\n3.329715 -5.766854 9.381666\nNa Co O\n28 4 18\ndirect\n0.999988 0.625473 0.625479 Na\n0.999988 0.125473 0.125479 Na\n0.000000 0.874521 0.874526 Na\n0.000000 0.374521 0.374526 Na\n0.036429 0.791699 0.116036 Na\n0.036429 0.291699 0.616036 Na\n0.324339 0.634261 0.273473 Na\n0.324339 0.134261 0.773473 Na\n0.639222 0.935655 0.972074 Na\n0.639222 0.435655 0.472074 Na\n0.360757 0.064338 0.027952 Na\n0.360757 0.564338 0.527952 Na\n0.675589 0.365761 0.726535 Na\n0.675589 0.865761 0.226535 Na\n0.963603 0.208338 0.883954 Na\n0.963603 0.708338 0.383954 Na\n0.312320 0.764028 0.829147 Na\n0.312320 0.264028 0.329147 Na\n0.065104 0.485315 0.107867 Na\n0.065104 0.985315 0.607867 Na\n0.377433 0.359580 0.047206 Na\n0.377433 0.859580 0.547206 Na\n0.622557 0.640422 0.952767 Na\n0.622557 0.140422 0.452767 Na\n0.934929 0.514674 0.892114 Na\n0.934929 0.014674 0.392114 Na\n0.687630 0.235929 0.170856 Na\n0.687630 0.735929 0.670856 Na\n0.333328 0.964274 0.297604 Co\n0.666649 0.035724 0.702402 Co\n0.333328 0.464274 0.797604 Co\n0.666649 0.535724 0.202402 Co\n0.999991 0.000001 0.999998 O\n0.999991 0.500001 0.499998 O\n0.333315 0.355643 0.688974 O\n0.333315 0.855643 0.188974 O\n0.666663 0.644373 0.311027 O\n0.666663 0.144373 0.811027 O\n0.304452 0.638814 0.697414 O\n0.304452 0.138814 0.197414 O\n0.058607 0.349642 0.986584 O\n0.058607 0.849642 0.486584 O\n0.363044 0.484110 0.179658 O\n0.363044 0.984110 0.679658 O\n0.636927 0.515887 0.820346 O\n0.636927 0.015887 0.320346 O\n0.941400 0.650362 0.013416 O\n0.941400 0.150362 0.513416 O\n0.695525 0.361175 0.302589 O\n0.695525 0.861175 0.802589 O\n",
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{
"id": "mp-849364",
"created_at": "2022-09-04T14:48:24.447013Z",
"structure_string": "Li4 Mn4 P4 H24 O30\n1.0\n2.447872 11.195678 0.000000\n-2.447872 11.195678 0.000000\n0.000000 0.856729 12.143590\nLi Mn P H O\n4 4 4 24 30\ndirect\n0.238539 0.974279 0.070831 Li\n0.974279 0.238539 0.570831 Li\n0.027659 0.747591 0.430035 Li\n0.747591 0.027659 0.930035 Li\n0.425051 0.069564 0.123686 Mn\n0.925018 0.568355 0.377733 Mn\n0.069564 0.425051 0.623686 Mn\n0.568355 0.925018 0.877733 Mn\n0.821077 0.504121 0.213057 P\n0.504121 0.821077 0.713057 P\n0.491125 0.171325 0.288451 P\n0.171325 0.491125 0.788451 P\n0.469125 0.560916 0.149269 H\n0.839001 0.225841 0.229636 H\n0.560916 0.469125 0.649269 H\n0.016403 0.111194 0.374735 H\n0.225841 0.839001 0.729636 H\n0.111194 0.016403 0.874735 H\n0.269365 0.959792 0.393620 H\n0.959792 0.269365 0.893620 H\n0.899855 0.628472 0.065851 H\n0.364312 0.094165 0.433237 H\n0.628472 0.899855 0.565851 H\n0.094165 0.364312 0.933237 H\n0.027148 0.732771 0.109330 H\n0.732771 0.027148 0.609330 H\n0.883992 0.981129 0.125260 H\n0.763463 0.154749 0.273751 H\n0.981129 0.883992 0.625260 H\n0.432202 0.525906 0.349604 H\n0.262142 0.723383 0.057297 H\n0.154749 0.763463 0.773751 H\n0.268897 0.736172 0.440039 H\n0.525906 0.432202 0.849604 H\n0.723383 0.262142 0.557297 H\n0.736172 0.268897 0.940039 H\n0.350002 0.708654 0.092344 O\n0.708654 0.350002 0.592344 O\n0.147505 0.012187 0.431263 O\n0.936148 0.281355 0.186054 O\n0.012187 0.147505 0.931263 O\n0.749791 0.578301 0.338350 O\n0.281355 0.936148 0.686054 O\n0.558722 0.779730 0.143729 O\n0.578301 0.749791 0.838350 O\n0.779730 0.558722 0.643729 O\n0.048836 0.397724 0.190243 O\n0.183579 0.244308 0.470455 O\n0.397724 0.048836 0.690243 O\n0.747686 0.812301 0.029967 O\n0.244308 0.183579 0.970455 O\n0.596356 0.944334 0.311277 O\n0.812301 0.747686 0.529967 O\n0.944334 0.596356 0.811277 O\n0.216533 0.433331 0.358072 O\n0.416274 0.243409 0.163431 O\n0.433331 0.216533 0.858072 O\n0.716080 0.053283 0.315573 O\n0.243409 0.416274 0.663431 O\n0.980528 0.849554 0.069769 O\n0.053283 0.716080 0.815573 O\n0.849554 0.980528 0.569769 O\n0.280943 0.650535 0.405382 O\n0.694975 0.296757 0.250159 O\n0.650535 0.280943 0.905382 O\n0.296757 0.694975 0.750159 O\n",
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"elements": [
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"density": 2.184392183490483,
"density_atomic": 0.09915799580400433,
"volume": 665.6044171208904,
"volume_molar": 6.073278015726903,
"formula_full": "Li4 Mn4 P4 H24 O30",
"formula_reduced": "Li2Mn2P2(H4O5)3",
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"spacegroup": 9
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{
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"created_at": "2022-09-04T14:48:09.797013Z",
"structure_string": "Y4 Nb8 N4 O20\n1.0\n14.991301 0.000000 0.000000\n0.000000 5.270825 0.000000\n0.000000 0.032308 5.957137\nY Nb N O\n4 8 4 20\ndirect\n0.251781 0.735483 0.705447 Y\n0.251906 0.254928 0.298108 Y\n0.748094 0.254928 0.798108 Y\n0.748219 0.735483 0.205447 Y\n0.423909 0.254399 0.815667 Nb\n0.417481 0.775873 0.183268 Nb\n0.582519 0.775873 0.683268 Nb\n0.576091 0.254399 0.315667 Nb\n0.913114 0.726918 0.688368 Nb\n0.917954 0.226255 0.316947 Nb\n0.082046 0.226255 0.816947 Nb\n0.086886 0.726918 0.188368 Nb\n0.493390 0.092641 0.118644 N\n0.506610 0.092641 0.618644 N\n0.832095 0.607463 0.889977 N\n0.167905 0.607463 0.389977 N\n0.334468 0.897861 0.391378 O\n0.333683 0.390765 0.616491 O\n0.347750 0.960923 0.914898 O\n0.347682 0.474838 0.083266 O\n0.494756 0.590284 0.865777 O\n0.505244 0.590284 0.365777 O\n0.652318 0.474838 0.583266 O\n0.652250 0.960923 0.414898 O\n0.665532 0.897861 0.891378 O\n0.666317 0.390765 0.116491 O\n0.832131 0.103439 0.118904 O\n0.849230 0.044363 0.585168 O\n0.852475 0.539308 0.412042 O\n0.994265 0.403319 0.631803 O\n0.995334 0.920940 0.363847 O\n0.004666 0.920940 0.863847 O\n0.005735 0.403319 0.131803 O\n0.147525 0.539308 0.912042 O\n0.150770 0.044363 0.085168 O\n0.167869 0.103439 0.618904 O\n",
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"formula_full": "Y4 Nb8 N4 O20",
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{
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"created_at": "2022-09-04T14:45:22.467876Z",
"structure_string": "Li2 Co6 O2 F10\n1.0\n6.025393 0.000000 0.000000\n-0.238994 6.168243 0.000000\n-0.150505 -0.255583 6.178848\nLi Co O F\n2 6 2 10\ndirect\n0.507026 0.493197 0.498496 Li\n0.994087 0.983148 0.986331 Li\n0.273368 0.094171 0.556899 Co\n0.930894 0.452653 0.758355 Co\n0.415163 0.735044 0.916052 Co\n0.555370 0.244440 0.100287 Co\n0.066716 0.570445 0.232174 Co\n0.749491 0.945791 0.434667 Co\n0.092269 0.671982 0.936843 O\n0.543114 0.171905 0.401354 O\n0.318849 0.089891 0.899521 F\n0.932218 0.100940 0.691727 F\n0.596333 0.450097 0.820963 F\n0.178738 0.413838 0.528733 F\n0.817914 0.613942 0.457847 F\n0.456290 0.803135 0.601459 F\n0.903722 0.293544 0.089100 F\n0.414048 0.543497 0.199320 F\n0.077770 0.927865 0.321722 F\n0.676620 0.900477 0.068147 F\n",
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{
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"created_at": "2022-09-04T14:41:51.468260Z",
"structure_string": "Cd4 Sn4 O12\n1.0\n5.554034 0.000000 0.000000\n0.000000 5.677873 0.000000\n0.000000 0.000000 8.035688\nCd Sn O\n4 4 12\ndirect\n0.012110 0.952657 0.750000 Cd\n0.487890 0.452657 0.750000 Cd\n0.512110 0.547343 0.250000 Cd\n0.987890 0.047343 0.250000 Cd\n0.000000 0.500000 0.000000 Sn\n0.000000 0.500000 0.500000 Sn\n0.500000 0.000000 0.000000 Sn\n0.500000 0.000000 0.500000 Sn\n0.113545 0.449254 0.250000 O\n0.194195 0.197268 0.561222 O\n0.194195 0.197268 0.938778 O\n0.305805 0.697268 0.561222 O\n0.305805 0.697268 0.938778 O\n0.386455 0.949254 0.250000 O\n0.613545 0.050746 0.750000 O\n0.694195 0.302732 0.061222 O\n0.694195 0.302732 0.438778 O\n0.805805 0.802732 0.061222 O\n0.805805 0.802732 0.438778 O\n0.886455 0.550746 0.750000 O\n",
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},
{
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"created_at": "2022-09-04T14:42:40.310638Z",
"structure_string": "Li4 V4 P12 H4 O40\n1.0\n5.038525 0.000000 0.000000\n0.000000 11.976532 0.000000\n0.000000 0.000000 15.499765\nLi V P H O\n4 4 12 4 40\ndirect\n0.057942 0.194384 0.945564 Li\n0.057942 0.305616 0.445564 Li\n0.942058 0.694384 0.945564 Li\n0.942058 0.805616 0.445564 Li\n0.994765 0.166589 0.737207 V\n0.994765 0.333411 0.237207 V\n0.005235 0.666589 0.737207 V\n0.005235 0.833411 0.237207 V\n0.256362 0.083852 0.239080 P\n0.486779 0.080631 0.623073 P\n0.498725 0.251898 0.357632 P\n0.498725 0.248102 0.857632 P\n0.486779 0.419369 0.123073 P\n0.256362 0.416148 0.739080 P\n0.743638 0.583852 0.239080 P\n0.513221 0.580631 0.623073 P\n0.501275 0.751898 0.357632 P\n0.501275 0.748102 0.857632 P\n0.513221 0.919369 0.123073 P\n0.743638 0.916148 0.739080 P\n0.492546 0.124204 0.489821 H\n0.492546 0.375796 0.989821 H\n0.507454 0.624204 0.489821 H\n0.507454 0.875796 0.989821 H\n0.451270 0.040962 0.165250 O\n0.892913 0.012620 0.778915 O\n0.545517 0.054961 0.525954 O\n0.458622 0.131361 0.309188 O\n0.192460 0.103977 0.635056 O\n0.088702 0.176477 0.201527 O\n0.322171 0.161159 0.814734 O\n0.666966 0.168819 0.661238 O\n0.409053 0.234518 0.450559 O\n0.798601 0.224271 0.850639 O\n0.798601 0.275729 0.350639 O\n0.409053 0.265482 0.950559 O\n0.666966 0.331181 0.161238 O\n0.322171 0.338841 0.314734 O\n0.088702 0.323523 0.701527 O\n0.192460 0.396023 0.135056 O\n0.458622 0.368639 0.809188 O\n0.545517 0.445039 0.025954 O\n0.892913 0.487380 0.278915 O\n0.451270 0.459038 0.665250 O\n0.548730 0.540962 0.165250 O\n0.107087 0.512620 0.778915 O\n0.454483 0.554961 0.525954 O\n0.541378 0.631361 0.309188 O\n0.807540 0.603977 0.635056 O\n0.911298 0.676477 0.201527 O\n0.677829 0.661159 0.814734 O\n0.333034 0.668819 0.661238 O\n0.590947 0.734518 0.450559 O\n0.201399 0.724271 0.850639 O\n0.201399 0.775729 0.350639 O\n0.590947 0.765482 0.950559 O\n0.333034 0.831181 0.161238 O\n0.677829 0.838841 0.314734 O\n0.911298 0.823523 0.701527 O\n0.807540 0.896023 0.135056 O\n0.541378 0.868639 0.809188 O\n0.454483 0.945039 0.025954 O\n0.107087 0.987380 0.278915 O\n0.548730 0.959038 0.665250 O\n",
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"spacegroup": 29
},
{
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