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{
"id": "mp-861572",
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"structure_string": "Li4 Mn8 O4 F12\n1.0\n0.000952 4.431596 4.431116\n8.892109 4.452407 -4.450012\n-4.540648 0.103640 -4.535721\nLi Mn O F\n4 8 4 12\ndirect\n0.464965 0.488364 0.929495 Li\n0.965009 0.988385 0.929396 Li\n0.410880 0.136733 0.821115 Li\n0.910738 0.636750 0.821035 Li\n0.937690 0.312808 0.875902 Mn\n0.437000 0.812123 0.874571 Mn\n0.187191 0.562680 0.375078 Mn\n0.438943 0.813260 0.375970 Mn\n0.438224 0.311835 0.374428 Mn\n0.686707 0.062700 0.375062 Mn\n0.938916 0.313270 0.376160 Mn\n0.938029 0.811806 0.374273 Mn\n0.274808 0.424756 0.548508 O\n0.774800 0.924745 0.548537 O\n0.601008 0.200500 0.200785 O\n0.101080 0.700488 0.200845 O\n0.070057 0.193033 0.648324 F\n0.570976 0.692283 0.648010 F\n0.049232 0.184797 0.098774 F\n0.549721 0.684764 0.098640 F\n0.578122 0.192738 0.651180 F\n0.078206 0.693018 0.651414 F\n0.801646 0.432078 0.098307 F\n0.301781 0.932492 0.098220 F\n0.297136 0.432535 0.101960 F\n0.795750 0.931688 0.101861 F\n0.825811 0.439690 0.651132 F\n0.325573 0.939682 0.651020 F\n",
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},
{
"id": "mp-766418",
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"structure_string": "Mn1 Fe7 P8 O32\n1.0\n11.912577 0.000000 0.000000\n0.000000 4.890378 0.000000\n0.000000 0.039946 9.936023\nMn Fe P O\n1 7 8 32\ndirect\n0.500000 0.938840 0.717930 Mn\n0.000000 0.969678 0.727500 Fe\n0.000000 0.531566 0.226988 Fe\n0.500000 0.530888 0.226856 Fe\n0.250870 0.466196 0.774593 Fe\n0.749130 0.466196 0.774593 Fe\n0.249522 0.030858 0.272801 Fe\n0.750478 0.030858 0.272801 Fe\n0.248129 0.919355 0.596637 P\n0.751871 0.919355 0.596637 P\n0.249995 0.583318 0.096619 P\n0.750005 0.583318 0.096619 P\n0.000000 0.418100 0.903703 P\n0.500000 0.419301 0.900076 P\n0.500000 0.079059 0.404370 P\n0.000000 0.081123 0.403215 P\n0.249250 0.849965 0.446603 O\n0.750750 0.849965 0.446603 O\n0.148007 0.773579 0.671477 O\n0.651614 0.771143 0.671568 O\n0.851993 0.773579 0.671477 O\n0.348386 0.771143 0.671568 O\n0.500000 0.769878 0.383026 O\n0.000000 0.772103 0.381203 O\n0.500000 0.733570 0.880344 O\n0.000000 0.727462 0.881682 O\n0.149303 0.726632 0.172124 O\n0.350806 0.727225 0.171884 O\n0.850697 0.726632 0.172124 O\n0.649194 0.727225 0.171884 O\n0.248786 0.653870 0.946758 O\n0.751214 0.653870 0.946758 O\n0.500000 0.359186 0.051821 O\n0.000000 0.349200 0.054154 O\n0.397791 0.281695 0.828334 O\n0.602209 0.281695 0.828334 O\n0.899244 0.273648 0.829093 O\n0.100756 0.273648 0.829093 O\n0.250563 0.273791 0.119016 O\n0.749437 0.273791 0.119016 O\n0.249242 0.227771 0.618694 O\n0.750758 0.227771 0.618694 O\n0.399353 0.225326 0.330220 O\n0.600647 0.225326 0.330220 O\n0.899254 0.226081 0.328049 O\n0.100746 0.226081 0.328049 O\n0.500000 0.148807 0.555082 O\n0.000000 0.150330 0.553105 O\n",
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"elements": [
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"Fe",
"P",
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],
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"density_atomic": 0.08292404895380007,
"volume": 578.8429364651804,
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"formula_full": "Mn1 Fe7 P8 O32",
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"energy": -381.75767611,
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"spacegroup": 6
},
{
"id": "mp-20802",
"created_at": "2022-09-04T14:42:29.469606Z",
"structure_string": "Eu1 P2 Os2\n1.0\n-2.039402 2.039402 5.401909\n2.039402 -2.039402 5.401909\n2.039402 2.039402 -5.401909\nEu P Os\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Eu\n0.642927 0.642927 0.000000 P\n0.357073 0.357073 0.000000 P\n0.250000 0.750000 0.500000 Os\n0.750000 0.250000 0.500000 Os\n",
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"elements": [
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"formula_full": "Eu1 P2 Os2",
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"energy": -47.01819416,
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"spacegroup": 139
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{
"id": "mp-1207897",
"created_at": "2022-09-04T14:42:29.478558Z",
"structure_string": "Y4 Hf4 Mo14 O56\n1.0\n4.977202 10.530409 0.000000\n-4.977202 10.530409 0.000000\n0.000000 5.533393 12.864519\nY Hf Mo O\n4 4 14 56\ndirect\n0.149220 0.124370 0.063106 Y\n0.850780 0.875630 0.936894 Y\n0.875630 0.850780 0.436894 Y\n0.124370 0.149220 0.563106 Y\n0.420392 0.348588 0.187268 Hf\n0.579608 0.651412 0.812732 Hf\n0.651412 0.579608 0.312732 Hf\n0.348588 0.420392 0.687268 Hf\n0.499109 0.987994 0.173342 Mo\n0.500891 0.012006 0.826658 Mo\n0.012006 0.500891 0.326658 Mo\n0.987994 0.499109 0.673342 Mo\n0.456428 0.227208 0.477214 Mo\n0.543572 0.772792 0.522786 Mo\n0.772792 0.543572 0.022786 Mo\n0.227208 0.456428 0.977214 Mo\n0.811938 0.066260 0.147067 Mo\n0.188062 0.933740 0.852933 Mo\n0.933740 0.188062 0.352933 Mo\n0.066260 0.811938 0.647067 Mo\n0.296376 0.703624 0.250000 Mo\n0.703624 0.296376 0.750000 Mo\n0.487321 0.126018 0.218045 O\n0.512679 0.873982 0.781955 O\n0.873982 0.512679 0.281955 O\n0.126018 0.487321 0.718045 O\n0.642650 0.070518 0.495655 O\n0.357350 0.929482 0.504345 O\n0.929482 0.357350 0.004345 O\n0.070518 0.642650 0.995655 O\n0.316330 0.060137 0.165736 O\n0.683670 0.939863 0.834264 O\n0.939863 0.683670 0.334264 O\n0.060137 0.316330 0.665736 O\n0.934803 0.025030 0.398294 O\n0.065197 0.974970 0.601706 O\n0.974970 0.065197 0.101706 O\n0.025030 0.934803 0.898294 O\n0.797116 0.996445 0.283149 O\n0.202884 0.003555 0.716851 O\n0.003555 0.202884 0.216851 O\n0.996445 0.797116 0.783149 O\n0.576222 0.805450 0.261247 O\n0.423778 0.194550 0.738753 O\n0.194550 0.423778 0.238753 O\n0.805450 0.576222 0.761247 O\n0.666086 0.829654 0.470528 O\n0.333914 0.170346 0.529472 O\n0.170346 0.333914 0.029472 O\n0.829654 0.666086 0.970528 O\n0.829484 0.946596 0.083261 O\n0.170516 0.053404 0.916739 O\n0.053404 0.170516 0.416739 O\n0.946596 0.829484 0.583261 O\n0.611676 0.960378 0.048114 O\n0.388324 0.039622 0.951886 O\n0.039622 0.388324 0.451886 O\n0.960378 0.611676 0.548114 O\n0.375817 0.390066 0.043158 O\n0.624183 0.609934 0.956842 O\n0.609934 0.624183 0.456842 O\n0.390066 0.375817 0.543158 O\n0.259697 0.868105 0.157223 O\n0.740303 0.131895 0.842777 O\n0.131895 0.740303 0.342777 O\n0.868105 0.259697 0.657223 O\n0.439741 0.638840 0.319703 O\n0.560259 0.361160 0.680297 O\n0.361160 0.560259 0.180297 O\n0.638840 0.439741 0.819703 O\n0.643016 0.263840 0.124656 O\n0.356984 0.736160 0.875344 O\n0.736160 0.356984 0.375344 O\n0.263840 0.643016 0.624656 O\n0.448591 0.303433 0.339284 O\n0.551409 0.696567 0.660716 O\n0.696567 0.551409 0.160716 O\n0.303433 0.448591 0.839284 O\n",
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"volume": 1348.5096381696794,
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"formula_full": "Y4 Hf4 Mo14 O56",
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"energy": -695.9964020499999,
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{
"id": "mp-1188663",
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"structure_string": "Pd10 Pb6\n1.0\n3.914592 6.238690 0.000000\n-3.914592 6.238690 0.000000\n0.000000 3.861782 6.382496\nPd Pb\n10 6\ndirect\n0.376262 0.962675 0.656275 Pd\n0.037325 0.623738 0.343725 Pd\n0.792743 0.044910 0.411960 Pd\n0.955090 0.207257 0.588040 Pd\n0.449601 0.715975 0.085114 Pd\n0.284025 0.550399 0.914886 Pd\n0.624630 0.883599 0.241383 Pd\n0.116401 0.375370 0.758617 Pd\n0.204499 0.131782 0.167547 Pd\n0.868218 0.795501 0.832453 Pd\n0.410767 0.296549 0.289785 Pb\n0.703451 0.589233 0.710215 Pb\n0.011218 0.988782 0.000000 Pb\n0.240978 0.759022 0.500000 Pb\n0.836062 0.465271 0.207044 Pb\n0.534729 0.163938 0.792956 Pb\n",
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{
"id": "mp-1221303",
"created_at": "2022-09-04T14:42:29.482788Z",
"structure_string": "Na4 Th2 Mo6 O24\n1.0\n5.864853 3.769610 0.000000\n-5.864853 3.769610 0.000000\n0.000000 3.760820 11.410591\nNa Th Mo O\n4 2 6 24\ndirect\n0.209366 0.460705 0.578206 Na\n0.539295 0.790634 0.921794 Na\n0.460705 0.209366 0.078206 Na\n0.790634 0.539295 0.421794 Na\n0.877330 0.122670 0.250000 Th\n0.122670 0.877330 0.750000 Th\n0.707086 0.958149 0.586476 Mo\n0.041851 0.292914 0.913524 Mo\n0.373663 0.626337 0.250000 Mo\n0.292914 0.041851 0.413524 Mo\n0.626337 0.373663 0.750000 Mo\n0.958149 0.707086 0.086476 Mo\n0.071981 0.502538 0.788253 O\n0.384556 0.811725 0.125471 O\n0.745301 0.144524 0.448098 O\n0.497462 0.928019 0.711747 O\n0.855476 0.254699 0.051902 O\n0.188275 0.615444 0.374529 O\n0.741112 0.646350 0.779247 O\n0.046011 0.971228 0.119451 O\n0.382099 0.301971 0.439872 O\n0.353650 0.258888 0.720753 O\n0.698029 0.617901 0.060128 O\n0.028772 0.953989 0.380549 O\n0.615444 0.188275 0.874529 O\n0.928019 0.497462 0.211747 O\n0.254699 0.855476 0.551902 O\n0.144524 0.745301 0.948098 O\n0.502538 0.071981 0.288253 O\n0.811725 0.384556 0.625471 O\n0.953989 0.028772 0.880549 O\n0.258888 0.353650 0.220753 O\n0.617901 0.698029 0.560128 O\n0.301971 0.382099 0.939872 O\n0.646350 0.741112 0.279247 O\n0.971228 0.046011 0.619451 O\n",
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{
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