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{
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{
"id": "mp-1038937",
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"structure_string": "Ca4 Mg2\n1.0\n3.186033 -5.518370 0.000000\n3.186033 5.518370 0.000000\n0.000000 0.000000 5.968720\nCa Mg\n4 2\ndirect\n0.000000 0.653132 0.500000 Ca\n0.653132 0.000000 0.500000 Ca\n0.346868 0.346868 0.500000 Ca\n0.000000 0.000000 0.000000 Ca\n0.666667 0.333333 0.000000 Mg\n0.333333 0.666667 0.000000 Mg\n",
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{
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{
"id": "mp-772635",
"created_at": "2022-09-04T14:47:07.710549Z",
"structure_string": "Mn3 Cr2 Co3 O16\n1.0\n5.684546 -0.015463 -0.034088\n-2.855664 4.945843 -0.000151\n-0.054235 -0.031557 8.800629\nMn Cr Co O\n3 2 3 16\ndirect\n0.664202 0.832113 0.212109 Mn\n0.833502 0.664156 0.712218 Mn\n0.833506 0.169361 0.712218 Mn\n0.334916 0.667457 0.487769 Cr\n0.664678 0.332360 0.990246 Cr\n0.167934 0.832309 0.208990 Co\n0.167911 0.335628 0.208972 Co\n0.334085 0.167047 0.707772 Co\n0.170547 0.838915 0.603343 O\n0.045416 0.522712 0.331054 O\n0.328428 0.664232 0.100343 O\n0.006768 0.003397 0.316446 O\n0.003990 0.002018 0.818629 O\n0.170558 0.331640 0.603347 O\n0.474264 0.959008 0.337435 O\n0.474238 0.515265 0.337423 O\n0.330525 0.165270 0.106723 O\n0.662259 0.831124 0.599461 O\n0.515342 0.472724 0.836669 O\n0.515326 0.042629 0.836660 O\n0.665700 0.332839 0.599727 O\n0.837101 0.666364 0.103498 O\n0.961708 0.480882 0.841174 O\n0.837096 0.170753 0.103493 O\n",
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],
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"volume": 247.02770490161416,
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"formula_full": "Mn3 Cr2 Co3 O16",
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},
{
"id": "mp-760822",
"created_at": "2022-09-04T14:47:07.714875Z",
"structure_string": "Li4 V2 Fe2 P4 H4 O20\n1.0\n6.967511 0.000000 0.000000\n-3.395850 6.585376 0.000000\n-0.371563 -0.376429 7.971633\nLi V Fe P H O\n4 2 2 4 4 20\ndirect\n0.072768 0.822564 0.675609 Li\n0.428913 0.176756 0.825037 Li\n0.571087 0.823244 0.174963 Li\n0.927232 0.177436 0.324391 Li\n0.000000 0.000000 0.000000 V\n0.500000 0.500000 0.500000 V\n0.000000 0.500000 0.000000 Fe\n0.500000 0.000000 0.500000 Fe\n0.480571 0.767729 0.842135 P\n0.017505 0.231009 0.657588 P\n0.982495 0.768991 0.342412 P\n0.519429 0.232271 0.157865 P\n0.790498 0.659226 0.849187 H\n0.290830 0.662573 0.350617 H\n0.709170 0.337427 0.649383 H\n0.209502 0.340774 0.150813 H\n0.324765 0.657878 0.980723 O\n0.111657 0.118599 0.773085 O\n0.386767 0.880756 0.728017 O\n0.688755 0.926279 0.940158 O\n0.190344 0.928904 0.441721 O\n0.534034 0.619975 0.737523 O\n0.174852 0.340751 0.519822 O\n0.034748 0.620543 0.238717 O\n0.942904 0.721979 0.895150 O\n0.444241 0.727405 0.393749 O\n0.555759 0.272595 0.606251 O\n0.057096 0.278021 0.104850 O\n0.965252 0.379457 0.761283 O\n0.825148 0.659249 0.480178 O\n0.465966 0.380025 0.262477 O\n0.809656 0.071096 0.558279 O\n0.311245 0.073721 0.059842 O\n0.613233 0.119244 0.271983 O\n0.888343 0.881401 0.226915 O\n0.675235 0.342122 0.019277 O\n",
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"formula_full": "Li4 V2 Fe2 P4 H4 O20",
"formula_reduced": "Li2VFeP2(HO5)2",
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"spacegroup": 2
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{
"id": "mp-772044",
"created_at": "2022-09-04T14:47:10.498326Z",
"structure_string": "Na2 V2 Si2 C2 O14\n1.0\n6.426129 0.000000 0.000000\n0.000000 5.407741 0.000000\n0.000000 0.515931 9.047669\nNa V Si C O\n2 2 2 2 14\ndirect\n0.514186 0.764817 0.776121 Na\n0.014186 0.235183 0.223879 Na\n0.234085 0.201803 0.656224 V\n0.734085 0.798197 0.343776 V\n0.740158 0.275235 0.561955 Si\n0.240158 0.724765 0.438045 Si\n0.256540 0.277641 0.919886 C\n0.756540 0.722359 0.080114 C\n0.755489 0.689820 0.946863 O\n0.250418 0.056876 0.859828 O\n0.259529 0.453340 0.811161 O\n0.953103 0.213644 0.658636 O\n0.540125 0.205149 0.662333 O\n0.254367 0.894821 0.583502 O\n0.744149 0.568999 0.501902 O\n0.244149 0.431001 0.498098 O\n0.754367 0.105179 0.416498 O\n0.040125 0.794851 0.337667 O\n0.453103 0.786356 0.341364 O\n0.759529 0.546660 0.188839 O\n0.750418 0.943124 0.140172 O\n0.255489 0.310180 0.053137 O\n",
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"elements": [
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],
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"density": 2.3874276476651906,
"density_atomic": 0.06997141462140519,
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"formula_full": "Na2 V2 Si2 C2 O14",
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{
"id": "mp-1194745",
"created_at": "2022-09-04T14:47:07.716190Z",
"structure_string": "Fe2 B24 H8 O48\n1.0\n0.000000 8.718305 0.000000\n-0.136695 0.000000 8.775466\n11.550149 0.000000 -2.698734\nFe B H O\n2 24 8 48\ndirect\n0.500000 0.000000 0.000000 Fe\n0.000000 0.500000 0.000000 Fe\n0.535249 0.861152 0.721702 B\n0.035249 0.638848 0.278298 B\n0.464751 0.138848 0.278298 B\n0.964751 0.361152 0.721702 B\n0.403914 0.796719 0.530867 B\n0.903914 0.703281 0.469133 B\n0.596086 0.203281 0.469133 B\n0.096086 0.296719 0.530867 B\n0.403823 0.606911 0.645717 B\n0.903823 0.893089 0.354283 B\n0.596177 0.393089 0.354283 B\n0.096177 0.106911 0.645717 B\n0.790094 0.939702 0.857466 B\n0.290094 0.560298 0.142534 B\n0.209906 0.060298 0.142534 B\n0.709906 0.439702 0.857466 B\n0.754317 0.238557 0.976423 B\n0.254317 0.261443 0.023577 B\n0.245683 0.761443 0.023577 B\n0.745683 0.738557 0.976423 B\n0.491275 0.292623 0.915798 B\n0.991275 0.207377 0.084202 B\n0.508725 0.707377 0.084202 B\n0.008725 0.792623 0.915798 B\n0.408190 0.932488 0.417894 H\n0.908190 0.567512 0.582106 H\n0.591810 0.067512 0.582106 H\n0.091810 0.432488 0.417894 H\n0.411405 0.440920 0.730813 H\n0.911405 0.059080 0.269187 H\n0.588595 0.559080 0.269187 H\n0.088595 0.940920 0.730813 H\n0.495731 0.897358 0.612503 O\n0.995731 0.602642 0.387497 O\n0.504269 0.102642 0.387497 O\n0.004269 0.397358 0.612503 O\n0.353226 0.654237 0.549508 O\n0.853226 0.845763 0.450492 O\n0.646774 0.345763 0.450492 O\n0.146774 0.154237 0.549508 O\n0.502538 0.701833 0.724360 O\n0.002538 0.798167 0.275640 O\n0.497462 0.298167 0.275640 O\n0.997462 0.201833 0.724360 O\n0.699546 0.903140 0.750189 O\n0.199546 0.596860 0.249811 O\n0.300454 0.096860 0.249811 O\n0.800454 0.403140 0.750189 O\n0.709030 0.893225 0.954899 O\n0.209030 0.606775 0.045101 O\n0.290970 0.106775 0.045101 O\n0.790970 0.393225 0.954899 O\n0.583744 0.222650 0.987459 O\n0.083744 0.277350 0.012541 O\n0.416256 0.777350 0.012541 O\n0.916256 0.722650 0.987459 O\n0.807822 0.110050 0.880942 O\n0.307822 0.389950 0.119058 O\n0.192178 0.889950 0.119058 O\n0.692178 0.610050 0.880942 O\n0.366404 0.831669 0.428878 O\n0.866404 0.668331 0.571122 O\n0.633596 0.168331 0.571122 O\n0.133596 0.331669 0.428878 O\n0.357627 0.466568 0.665138 O\n0.857627 0.033432 0.334862 O\n0.642373 0.533432 0.334862 O\n0.142373 0.966568 0.665138 O\n0.943760 0.871665 0.842344 O\n0.443760 0.628335 0.157656 O\n0.056240 0.128335 0.157656 O\n0.556240 0.371665 0.842344 O\n0.530717 0.030954 0.174779 O\n0.030717 0.469046 0.825221 O\n0.469283 0.969046 0.825221 O\n0.969283 0.530954 0.174779 O\n0.834508 0.214419 0.077099 O\n0.334508 0.285581 0.922901 O\n0.165492 0.785581 0.922901 O\n0.665492 0.714419 0.077099 O\n",
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{
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"structure_string": "Sc2 Ru1 Rh1\n1.0\n0.000000 3.223903 3.223903\n3.223903 0.000000 3.223903\n3.223903 3.223903 0.000000\nSc Ru Rh\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Sc\n0.750000 0.750000 0.750000 Sc\n0.000000 0.000000 0.000000 Ru\n0.500000 0.500000 0.500000 Rh\n",
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{
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"structure_string": "Al4 Si1 Pd1\n1.0\n7.001498 -2.122430 0.000000\n7.001498 2.122430 0.000000\n6.358105 0.000000 3.619416\nAl Si Pd\n4 1 1\ndirect\n0.629624 0.629624 0.629624 Al\n0.120167 0.120167 0.120167 Al\n0.879833 0.879833 0.879833 Al\n0.370376 0.370376 0.370376 Al\n0.500000 0.500000 0.500000 Si\n0.000000 0.000000 0.000000 Pd\n",
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