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{
"id": "mp-758815",
"created_at": "2022-09-04T14:44:23.167197Z",
"structure_string": "Li8 Mn4 P16 O48\n1.0\n11.142329 0.000000 0.000000\n0.000000 7.490572 0.000000\n0.000000 3.526517 12.734592\nLi Mn P O\n8 4 16 48\ndirect\n0.903029 0.628492 0.262342 Li\n0.403029 0.371508 0.237658 Li\n0.056917 0.336782 0.469427 Li\n0.556917 0.663218 0.030573 Li\n0.443083 0.336782 0.969427 Li\n0.943083 0.663218 0.530573 Li\n0.596971 0.628492 0.762342 Li\n0.096971 0.371508 0.737658 Li\n0.740402 0.029662 0.667704 Mn\n0.240402 0.970338 0.832296 Mn\n0.759598 0.029662 0.167704 Mn\n0.259598 0.970338 0.332296 Mn\n0.275020 0.963014 0.081609 P\n0.616211 0.631244 0.298234 P\n0.254703 0.597883 0.024109 P\n0.754703 0.402117 0.475891 P\n0.724980 0.036986 0.918391 P\n0.116211 0.368756 0.201766 P\n0.955353 0.990881 0.823548 P\n0.455353 0.009119 0.676452 P\n0.775020 0.036986 0.418391 P\n0.224980 0.963014 0.581609 P\n0.544647 0.990881 0.323548 P\n0.044647 0.009119 0.176452 P\n0.883789 0.631244 0.798234 P\n0.245297 0.597883 0.524109 P\n0.745297 0.402117 0.975891 P\n0.383789 0.368756 0.701766 P\n0.241890 0.750579 0.088299 O\n0.646923 0.535519 0.421422 O\n0.547726 0.509145 0.246231 O\n0.876772 0.496898 0.448130 O\n0.725483 0.325372 0.589418 O\n0.376772 0.503102 0.051870 O\n0.268449 0.280863 0.753065 O\n0.477445 0.217194 0.684048 O\n0.047726 0.490855 0.253769 O\n0.659767 0.035965 0.820266 O\n0.330869 0.056757 0.976228 O\n0.146923 0.464481 0.078578 O\n0.741890 0.249421 0.411701 O\n0.068422 0.061233 0.861773 O\n0.857995 0.952096 0.917807 O\n0.904416 0.105751 0.722080 O\n0.404416 0.894249 0.777920 O\n0.774517 0.325372 0.089418 O\n0.357995 0.047904 0.582193 O\n0.568422 0.938767 0.638227 O\n0.231551 0.280863 0.253065 O\n0.022555 0.217194 0.184048 O\n0.830869 0.943243 0.523772 O\n0.159767 0.964035 0.679734 O\n0.840233 0.035965 0.320266 O\n0.169131 0.056757 0.476228 O\n0.977445 0.782806 0.815952 O\n0.768449 0.719137 0.746935 O\n0.431578 0.061233 0.361773 O\n0.642005 0.952096 0.417807 O\n0.225483 0.674628 0.910582 O\n0.595584 0.105751 0.222080 O\n0.095584 0.894249 0.277920 O\n0.142005 0.047904 0.082193 O\n0.931578 0.938767 0.138227 O\n0.258110 0.750579 0.588299 O\n0.853077 0.535519 0.921422 O\n0.669131 0.943243 0.023772 O\n0.340233 0.964035 0.179734 O\n0.952274 0.509145 0.746231 O\n0.522555 0.782806 0.315952 O\n0.731551 0.719137 0.246935 O\n0.623228 0.496898 0.948130 O\n0.274517 0.674628 0.410582 O\n0.123228 0.503102 0.551870 O\n0.452274 0.490855 0.753769 O\n0.353077 0.464481 0.578578 O\n0.758110 0.249421 0.911701 O\n",
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"elements": [
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"density_atomic": 0.07150519517582075,
"volume": 1062.8598357521741,
"volume_molar": 8.421962551381677,
"formula_full": "Li8 Mn4 P16 O48",
"formula_reduced": "Li2Mn(PO3)4",
"formula_anonymous": "AB2C4D12",
"energy": -572.4954383400001,
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"updated_at": "2021-11-28T01:36:34.594000Z",
"spacegroup": 14
},
{
"id": "mp-6285",
"created_at": "2022-09-04T14:39:29.534810Z",
"structure_string": "Ba4 Nd8 Ti12 O40\n1.0\n7.676021 0.000000 0.000000\n0.000000 7.784854 0.000000\n0.000000 1.911409 14.417588\nBa Nd Ti O\n4 8 12 40\ndirect\n0.750000 0.128731 0.494212 Ba\n0.250000 0.871269 0.505788 Ba\n0.750000 0.634834 0.466376 Ba\n0.250000 0.365166 0.533624 Ba\n0.250000 0.215289 0.135088 Nd\n0.750000 0.784711 0.864912 Nd\n0.250000 0.294871 0.844013 Nd\n0.750000 0.705129 0.155987 Nd\n0.250000 0.706919 0.167450 Nd\n0.750000 0.293081 0.832550 Nd\n0.250000 0.784973 0.851840 Nd\n0.750000 0.215027 0.148160 Nd\n0.501940 0.932830 0.290435 Ti\n0.001940 0.067170 0.709565 Ti\n0.498060 0.067170 0.709565 Ti\n0.998060 0.932830 0.290435 Ti\n0.499607 0.421254 0.294548 Ti\n0.999607 0.578746 0.705452 Ti\n0.500393 0.578746 0.705452 Ti\n0.000393 0.421254 0.294548 Ti\n0.500000 0.500000 0.000000 Ti\n0.000000 0.500000 0.000000 Ti\n0.500000 0.000000 0.000000 Ti\n0.000000 0.000000 0.000000 Ti\n0.250000 0.063564 0.978192 O\n0.750000 0.936436 0.021808 O\n0.750000 0.093387 0.706078 O\n0.250000 0.906613 0.293922 O\n0.250000 0.049510 0.756669 O\n0.750000 0.950490 0.243331 O\n0.484601 0.187412 0.251422 O\n0.984601 0.812588 0.748578 O\n0.515399 0.812588 0.748578 O\n0.015399 0.187412 0.251422 O\n0.548720 0.915070 0.410344 O\n0.048720 0.084930 0.589656 O\n0.451280 0.084930 0.589656 O\n0.951280 0.915070 0.410344 O\n0.451996 0.947431 0.131567 O\n0.750000 0.555076 0.713984 O\n0.951996 0.052569 0.868433 O\n0.048004 0.947431 0.131567 O\n0.545858 0.244736 0.020001 O\n0.045858 0.755264 0.979999 O\n0.454142 0.755264 0.979999 O\n0.954142 0.244736 0.020001 O\n0.250000 0.444753 0.984589 O\n0.750000 0.555247 0.015411 O\n0.033697 0.491261 0.131866 O\n0.533697 0.508739 0.868134 O\n0.966303 0.508739 0.868134 O\n0.466303 0.491261 0.131866 O\n0.966946 0.381967 0.416207 O\n0.466946 0.618033 0.583793 O\n0.033054 0.618033 0.583793 O\n0.533054 0.381967 0.416207 O\n0.978811 0.681093 0.272645 O\n0.478811 0.318907 0.727355 O\n0.021189 0.318907 0.727355 O\n0.521189 0.681093 0.272645 O\n0.750000 0.421591 0.252445 O\n0.250000 0.578409 0.747555 O\n0.250000 0.444924 0.286016 O\n0.548004 0.052569 0.868433 O\n",
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"volume": 861.5475210060487,
"volume_molar": 8.10681319207419,
"formula_full": "Ba4 Nd8 Ti12 O40",
"formula_reduced": "BaNd2Ti3O10",
"formula_anonymous": "AB2C3D10",
"energy": -572.50543078,
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"updated_at": "2021-11-28T01:34:25.075000Z",
"spacegroup": 11
},
{
"id": "mp-695069",
"created_at": "2022-09-04T14:45:20.549553Z",
"structure_string": "K10 Hf2 In2 Mo12 O48\n1.0\n13.131085 -5.385476 0.000000\n13.131085 5.385476 0.000000\n10.922330 0.000000 9.062641\nK Hf In Mo O\n10 2 2 12 48\ndirect\n0.146639 0.146639 0.146639 K\n0.353361 0.353361 0.353361 K\n0.750000 0.135906 0.364094 K\n0.135906 0.364094 0.750000 K\n0.364094 0.750000 0.135906 K\n0.635906 0.250000 0.864094 K\n0.864094 0.635906 0.250000 K\n0.250000 0.864094 0.635906 K\n0.646639 0.646639 0.646639 K\n0.853361 0.853361 0.853361 K\n0.000000 0.000000 0.000000 Hf\n0.500000 0.500000 0.500000 Hf\n0.250000 0.250000 0.250000 In\n0.750000 0.750000 0.750000 In\n0.618713 0.022038 0.262171 Mo\n0.022038 0.262171 0.618713 Mo\n0.262171 0.618713 0.022038 Mo\n0.522038 0.118713 0.762171 Mo\n0.762171 0.522038 0.118713 Mo\n0.881287 0.237829 0.477962 Mo\n0.118713 0.762171 0.522038 Mo\n0.237829 0.477962 0.881287 Mo\n0.477962 0.881287 0.237829 Mo\n0.737829 0.381287 0.977962 Mo\n0.977962 0.737829 0.381287 Mo\n0.381287 0.977962 0.737829 Mo\n0.321209 0.028173 0.302510 O\n0.028173 0.302510 0.321209 O\n0.302510 0.321209 0.028173 O\n0.471827 0.178791 0.197490 O\n0.178791 0.197490 0.471827 O\n0.197490 0.471827 0.178791 O\n0.617731 0.070178 0.347468 O\n0.198790 0.004420 0.895976 O\n0.070178 0.347468 0.617731 O\n0.895976 0.198790 0.004420 O\n0.406574 0.142922 0.611328 O\n0.347468 0.617731 0.070178 O\n0.611328 0.406574 0.142922 O\n0.357078 0.093426 0.888672 O\n0.142922 0.611328 0.406574 O\n0.004420 0.895976 0.198790 O\n0.888672 0.357078 0.093426 O\n0.495580 0.301210 0.604024 O\n0.882269 0.152532 0.429822 O\n0.570178 0.117731 0.847468 O\n0.604024 0.495580 0.301210 O\n0.152532 0.429822 0.882269 O\n0.301210 0.604024 0.495580 O\n0.093426 0.888672 0.357078 O\n0.906574 0.111328 0.642922 O\n0.698790 0.395976 0.504420 O\n0.847468 0.570178 0.117731 O\n0.395976 0.504420 0.698790 O\n0.429822 0.882269 0.152532 O\n0.117731 0.847468 0.570178 O\n0.504420 0.698790 0.395976 O\n0.111328 0.642922 0.906574 O\n0.995580 0.104024 0.801210 O\n0.857078 0.388672 0.593426 O\n0.642922 0.906574 0.111328 O\n0.388672 0.593426 0.857078 O\n0.652532 0.382269 0.929822 O\n0.593426 0.857078 0.388672 O\n0.104024 0.801210 0.995580 O\n0.929822 0.652532 0.382269 O\n0.801210 0.995580 0.104024 O\n0.382269 0.929822 0.652532 O\n0.802510 0.528173 0.821209 O\n0.821209 0.802510 0.528173 O\n0.528173 0.821209 0.802510 O\n0.697490 0.678791 0.971827 O\n0.971827 0.697490 0.678791 O\n0.678791 0.971827 0.697490 O\n",
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"formula_full": "K10 Hf2 In2 Mo12 O48",
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{
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"structure_string": "Al8 P8 H24 N4 O44\n1.0\n9.602610 0.000000 0.000000\n0.000000 9.700641 0.000000\n0.000000 0.000000 9.954659\nAl P H N O\n8 8 24 4 44\ndirect\n0.147426 0.512002 0.182498 Al\n0.352574 0.487998 0.682498 Al\n0.852574 0.012002 0.317502 Al\n0.647426 0.987998 0.817502 Al\n0.397510 0.256513 0.137260 Al\n0.102490 0.743487 0.637260 Al\n0.602490 0.756513 0.362740 Al\n0.897510 0.243487 0.862740 Al\n0.417112 0.479420 0.361624 P\n0.082888 0.520580 0.861624 P\n0.582888 0.979420 0.138376 P\n0.917112 0.020580 0.638376 P\n0.076427 0.199870 0.142971 P\n0.423573 0.800130 0.642971 P\n0.923573 0.699870 0.357029 P\n0.576427 0.300130 0.857029 P\n0.469841 0.219861 0.438173 H\n0.030159 0.780139 0.938173 H\n0.530159 0.719861 0.061827 H\n0.969841 0.280139 0.561827 H\n0.329519 0.241269 0.597462 H\n0.170481 0.758731 0.097462 H\n0.670481 0.741269 0.902538 H\n0.829519 0.258731 0.402538 H\n0.483839 0.049597 0.476486 H\n0.016161 0.950403 0.976486 H\n0.516161 0.549597 0.023514 H\n0.983839 0.450403 0.523514 H\n0.026582 0.335500 0.402213 H\n0.473418 0.664500 0.902213 H\n0.973418 0.835500 0.097787 H\n0.526582 0.164500 0.597787 H\n0.124387 0.347535 0.545405 H\n0.375613 0.652465 0.045405 H\n0.875613 0.847535 0.954595 H\n0.624387 0.152465 0.454595 H\n0.212301 0.568730 0.492596 H\n0.287699 0.431270 0.992596 H\n0.787699 0.068730 0.007404 H\n0.712301 0.931270 0.507404 H\n0.022471 0.353703 0.505430 N\n0.477529 0.646297 0.005430 N\n0.977529 0.853703 0.994570 N\n0.522471 0.146297 0.494570 N\n0.260567 0.512855 0.339317 O\n0.239433 0.487145 0.839317 O\n0.739433 0.012855 0.160683 O\n0.760567 0.987145 0.660683 O\n0.293110 0.093368 0.757406 O\n0.206890 0.906632 0.257406 O\n0.706890 0.593368 0.742594 O\n0.793110 0.406632 0.242594 O\n0.999414 0.088136 0.221224 O\n0.500586 0.911864 0.721224 O\n0.000586 0.588136 0.278776 O\n0.499414 0.411864 0.778776 O\n0.059985 0.339295 0.219811 O\n0.440015 0.660705 0.719811 O\n0.940015 0.839295 0.280189 O\n0.559985 0.160705 0.780189 O\n0.487071 0.093152 0.190821 O\n0.012929 0.906848 0.690821 O\n0.512929 0.593152 0.309179 O\n0.987071 0.406848 0.809179 O\n0.056119 0.540597 0.014347 O\n0.443881 0.459403 0.514347 O\n0.943881 0.040597 0.485653 O\n0.556119 0.959403 0.985653 O\n0.018989 0.211472 0.998871 O\n0.481011 0.788528 0.498871 O\n0.981011 0.711472 0.501129 O\n0.518989 0.288528 0.001129 O\n0.229784 0.685132 0.129506 O\n0.270216 0.314868 0.629506 O\n0.770216 0.185132 0.370494 O\n0.729784 0.814868 0.870494 O\n0.450472 0.338243 0.294347 O\n0.049528 0.661757 0.794347 O\n0.549528 0.838243 0.205653 O\n0.950472 0.161757 0.705653 O\n0.295387 0.417404 0.091382 O\n0.204613 0.582596 0.591382 O\n0.704613 0.917404 0.408618 O\n0.795387 0.082596 0.908618 O\n0.232955 0.158890 0.137091 O\n0.267045 0.841110 0.637091 O\n0.767045 0.658890 0.362909 O\n0.732955 0.341110 0.862909 O\n",
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{
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}