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{
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{
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"structure_string": "Li6 V6 P16 O58\n1.0\n9.747429 0.000000 0.000000\n4.853516 8.465029 0.000000\n0.118048 0.039727 14.255754\nLi V P O\n6 6 16 58\ndirect\n0.323462 0.906653 0.047861 Li\n0.908570 0.770334 0.051513 Li\n0.216257 0.082235 0.449470 Li\n0.772765 0.914800 0.566971 Li\n0.087070 0.692088 0.453100 Li\n0.972841 0.047307 0.986388 Li\n0.438319 0.996862 0.249728 V\n0.562417 0.008508 0.754650 V\n0.999350 0.430146 0.751994 V\n0.001353 0.559041 0.245726 V\n0.567095 0.435325 0.249210 V\n0.437657 0.561154 0.748463 V\n0.775397 0.304142 0.840146 P\n0.912391 0.312269 0.339767 P\n0.313188 0.770254 0.342712 P\n0.665708 0.668827 0.131539 P\n0.669800 0.670483 0.632319 P\n0.313423 0.907996 0.838382 P\n0.228000 0.089475 0.660473 P\n0.912517 0.774566 0.841680 P\n0.085863 0.218421 0.156175 P\n0.773183 0.906116 0.344673 P\n0.694188 0.085767 0.164338 P\n0.331987 0.332762 0.365684 P\n0.328608 0.337159 0.869319 P\n0.691192 0.226579 0.654911 P\n0.091549 0.681060 0.662986 P\n0.226667 0.691796 0.158470 P\n0.769453 0.226924 0.566655 O\n0.741211 0.343043 0.332796 O\n0.010770 0.203789 0.070627 O\n0.911050 0.345113 0.831386 O\n0.615192 0.459481 0.830072 O\n0.670795 0.519701 0.176320 O\n0.474002 0.617849 0.322804 O\n0.218640 0.788471 0.075843 O\n0.348296 0.736176 0.830183 O\n0.819871 0.527544 0.679428 O\n0.904972 0.474654 0.317268 O\n0.528886 0.658324 0.678744 O\n0.657648 0.682076 0.027986 O\n0.674897 0.667893 0.528315 O\n0.511275 0.815332 0.175197 O\n0.915607 0.616327 0.831078 O\n0.814757 0.675140 0.170334 O\n0.338266 0.916403 0.338867 O\n0.206064 0.997652 0.749025 O\n0.236580 0.008880 0.571366 O\n0.228216 0.983305 0.927442 O\n0.470579 0.911238 0.825811 O\n0.664154 0.823461 0.671534 O\n0.261324 0.081320 0.165142 O\n0.620625 0.898437 0.319555 O\n0.921148 0.738675 0.333430 O\n0.000306 0.202644 0.249464 O\n0.002763 0.237476 0.425218 O\n0.001971 0.762031 0.575551 O\n0.083920 0.258687 0.668572 O\n0.380266 0.097468 0.680716 O\n0.740184 0.913967 0.829922 O\n0.335410 0.180442 0.324656 O\n0.534561 0.084105 0.175972 O\n0.791720 0.993982 0.083067 O\n0.762506 0.976214 0.437563 O\n0.788194 0.010043 0.261434 O\n0.658638 0.084316 0.663682 O\n0.184071 0.332077 0.825510 O\n0.083874 0.379608 0.170796 O\n0.480846 0.186709 0.825372 O\n0.331962 0.331999 0.973046 O\n0.321292 0.339235 0.469077 O\n0.475824 0.338048 0.320215 O\n0.096598 0.522787 0.679458 O\n0.181704 0.479580 0.319756 O\n0.657014 0.258985 0.167332 O\n0.796963 0.202483 0.747003 O\n0.794394 0.208263 0.924657 O\n0.530734 0.380485 0.676290 O\n0.330804 0.481670 0.822674 O\n0.385053 0.534547 0.172231 O\n0.086206 0.657174 0.160720 O\n0.981651 0.793249 0.930397 O\n0.003005 0.793762 0.751551 O\n0.260864 0.655300 0.664933 O\n0.231155 0.763455 0.428649 O\n0.204265 0.792471 0.252553 O\n",
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"nelements": 4,
"elements": [
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"P",
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],
"chemical_system": "Li-O-P-V",
"density": 2.4998836358431697,
"density_atomic": 0.07311217906604434,
"volume": 1176.2746111330332,
"volume_molar": 8.236850326345802,
"formula_full": "Li6 V6 P16 O58",
"formula_reduced": "Li3V3P8O29",
"formula_anonymous": "A3B3C8D29",
"energy": -656.41321581,
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"updated_at": "2021-11-28T01:38:03.908000Z",
"spacegroup": 1
},
{
"id": "mp-726800",
"created_at": "2022-09-04T14:47:18.526337Z",
"structure_string": "Mn4 Si4 Sn1 B2 H2 O18\n1.0\n6.280666 0.000760 3.207083\n1.896679 7.216660 0.005833\n-0.012904 0.001210 7.774642\nMn Si Sn B H O\n4 4 1 2 2 18\ndirect\n0.694323 0.711156 0.264129 Mn\n0.305693 0.288812 0.735895 Mn\n0.190094 0.722702 0.264661 Mn\n0.809831 0.277367 0.735328 Mn\n0.924995 0.674164 0.758610 Si\n0.075013 0.325831 0.241390 Si\n0.469206 0.676501 0.776474 Si\n0.530799 0.323500 0.223524 Si\n0.999998 0.000000 0.999996 Sn\n0.250583 0.876373 0.569654 B\n0.749418 0.123626 0.430345 B\n0.671422 0.954225 0.660089 H\n0.328581 0.045773 0.339911 H\n0.143016 0.043656 0.708727 O\n0.856990 0.956339 0.291274 O\n0.876937 0.779656 0.965276 O\n0.123069 0.220340 0.034725 O\n0.435133 0.750783 0.589564 O\n0.564875 0.249211 0.410437 O\n0.273645 0.804779 0.977911 O\n0.726361 0.195219 0.022085 O\n0.090751 0.770017 0.578513 O\n0.909254 0.229979 0.421486 O\n0.698629 0.730288 0.736154 O\n0.301375 0.269707 0.263841 O\n0.014137 0.451432 0.735590 O\n0.985865 0.548564 0.264410 O\n0.491092 0.457637 0.789951 O\n0.508909 0.542364 0.210049 O\n0.354371 0.913922 0.361844 O\n0.645633 0.086075 0.638155 O\n",
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"formula_full": "Mn4 Si4 Sn1 B2 H2 O18",
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{
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"structure_string": "Eu10 Br20\n1.0\n11.620542 0.000000 0.000000\n0.000000 11.620542 0.000000\n0.000000 0.000000 7.201288\nEu Br\n10 20\ndirect\n0.500000 0.000000 0.147789 Eu\n0.000000 0.500000 0.852211 Eu\n0.836630 0.852218 0.751553 Eu\n0.352218 0.663370 0.751553 Eu\n0.647782 0.336630 0.751553 Eu\n0.163370 0.147782 0.751553 Eu\n0.663370 0.647782 0.248447 Eu\n0.147782 0.836630 0.248447 Eu\n0.852218 0.163370 0.248447 Eu\n0.336630 0.352218 0.248447 Eu\n0.000000 0.000000 0.500000 Br\n0.500000 0.500000 0.500000 Br\n0.000000 0.000000 0.000000 Br\n0.500000 0.500000 0.000000 Br\n0.707104 0.089439 0.902922 Br\n0.589439 0.792896 0.902922 Br\n0.410561 0.207104 0.902922 Br\n0.292896 0.910561 0.902922 Br\n0.792896 0.410561 0.097078 Br\n0.910561 0.707104 0.097078 Br\n0.209174 0.402309 0.622866 Br\n0.902309 0.290826 0.622866 Br\n0.097691 0.709174 0.622866 Br\n0.790826 0.597691 0.622866 Br\n0.290826 0.097691 0.377134 Br\n0.597691 0.209174 0.377134 Br\n0.402309 0.790826 0.377134 Br\n0.709174 0.902309 0.377134 Br\n0.207104 0.589439 0.097078 Br\n0.089439 0.292896 0.097078 Br\n",
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"volume": 972.4403015424302,
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"formula_full": "Eu10 Br20",
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]
}