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{
"id": "mp-754437",
"created_at": "2022-09-04T14:44:03.167875Z",
"structure_string": "Na6 Co4 O8\n1.0\n2.872366 -4.051496 0.000000\n2.872366 4.051496 0.000000\n0.000000 0.000000 10.534349\nNa Co O\n6 4 8\ndirect\n0.646142 0.353858 0.061548 Na\n0.646142 0.353858 0.438452 Na\n0.353858 0.646142 0.561548 Na\n0.316271 0.683729 0.250000 Na\n0.683729 0.316271 0.750000 Na\n0.353858 0.646142 0.938452 Na\n0.000000 0.000000 0.000000 Co\n0.932238 0.067762 0.250000 Co\n0.000000 0.000000 0.500000 Co\n0.067762 0.932238 0.750000 Co\n0.140057 0.302526 0.114133 O\n0.140057 0.302526 0.385867 O\n0.302526 0.140057 0.885867 O\n0.302526 0.140057 0.614133 O\n0.697474 0.859943 0.385867 O\n0.697474 0.859943 0.114133 O\n0.859943 0.697474 0.614133 O\n0.859943 0.697474 0.885867 O\n",
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{
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"volume": 699.7704371279835,
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"formula_full": "Yb8 Zn4 S16",
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},
{
"id": "mp-1094006",
"created_at": "2022-09-04T14:44:03.279013Z",
"structure_string": "Zn1 Ga2 S4\n1.0\n12.493788 -1.863826 0.000000\n12.493788 1.863826 0.000000\n12.215742 0.000000 3.216245\nZn Ga S\n1 2 4\ndirect\n0.231007 0.231007 0.231007 Zn\n0.998732 0.998732 0.998732 Ga\n0.764900 0.764900 0.764900 Ga\n0.880061 0.880061 0.880061 S\n0.123996 0.123996 0.123996 S\n0.301135 0.301135 0.301135 S\n0.704169 0.704169 0.704169 S\n",
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"formula_full": "Zn1 Ga2 S4",
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"energy": -29.98430673,
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{
"id": "mp-758722",
"created_at": "2022-09-04T14:44:03.321553Z",
"structure_string": "Li4 Fe2 Cu2 P4 O16\n1.0\n6.048453 0.000000 0.000000\n0.000000 4.713492 0.000000\n0.000000 0.224583 10.078158\nLi Fe Cu P O\n4 2 2 4 16\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Li\n0.500000 0.500000 0.500000 Li\n0.750000 0.478698 0.781092 Fe\n0.250000 0.521302 0.218908 Fe\n0.250000 0.948541 0.715408 Cu\n0.750000 0.051459 0.284592 Cu\n0.250000 0.419336 0.903073 P\n0.750000 0.920744 0.593060 P\n0.250000 0.079256 0.406940 P\n0.750000 0.580664 0.096927 P\n0.750000 0.707803 0.953566 O\n0.250000 0.749602 0.898421 O\n0.041462 0.293974 0.834965 O\n0.458538 0.293974 0.834965 O\n0.548430 0.775568 0.665645 O\n0.951570 0.775568 0.665645 O\n0.750000 0.244155 0.596316 O\n0.250000 0.193801 0.551537 O\n0.750000 0.806199 0.448463 O\n0.250000 0.755845 0.403684 O\n0.048430 0.224432 0.334355 O\n0.451570 0.224432 0.334355 O\n0.541462 0.706026 0.165035 O\n0.958538 0.706026 0.165035 O\n0.750000 0.250398 0.101579 O\n0.250000 0.292197 0.046434 O\n",
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"updated_at": "2021-11-28T01:36:21.204000Z",
"spacegroup": 11
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{
"id": "mp-669381",
"created_at": "2022-09-04T14:44:03.333126Z",
"structure_string": "Pb8 O4 F8\n1.0\n6.129961 0.000000 0.000000\n0.000000 8.167217 0.000000\n0.000000 0.000000 8.273525\nPb O F\n8 4 8\ndirect\n0.214366 0.740062 0.000000 Pb\n0.693057 0.500000 0.250231 Pb\n0.693057 0.500000 0.749769 Pb\n0.214366 0.259938 0.000000 Pb\n0.282696 0.241013 0.500000 Pb\n0.282696 0.758987 0.500000 Pb\n0.749206 0.000000 0.248577 Pb\n0.749206 0.000000 0.751423 Pb\n0.571716 0.500000 0.000000 O\n0.167065 0.000000 0.000000 O\n0.628692 0.000000 0.500000 O\n0.412354 0.500000 0.500000 O\n0.476360 0.229242 0.770576 F\n0.476360 0.770758 0.229424 F\n0.476360 0.770758 0.770576 F\n0.983990 0.256043 0.715047 F\n0.983990 0.256043 0.284953 F\n0.983990 0.743957 0.284953 F\n0.983990 0.743957 0.715047 F\n0.476360 0.229242 0.229424 F\n",
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"formula_full": "Pb8 O4 F8",
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{
"id": "mp-560176",
"created_at": "2022-09-04T14:44:03.366812Z",
"structure_string": "K4 Na2 Al6 F24\n1.0\n7.085746 0.000000 0.000000\n0.000000 7.047901 0.000000\n0.000000 0.029734 9.810262\nK Na Al F\n4 2 6 24\ndirect\n0.250000 0.535432 0.358341 K\n0.250000 0.985610 0.105404 K\n0.750000 0.464568 0.641659 K\n0.750000 0.014390 0.894596 K\n0.750000 0.790960 0.240815 Na\n0.250000 0.209040 0.759185 Na\n0.000000 0.500000 0.000000 Al\n0.250000 0.692161 0.718836 Al\n0.750000 0.307839 0.281164 Al\n0.500000 0.000000 0.500000 Al\n0.500000 0.500000 0.000000 Al\n0.000000 0.000000 0.500000 Al\n0.438071 0.787781 0.605438 F\n0.040138 0.866244 0.349093 F\n0.456529 0.262044 0.949161 F\n0.959862 0.133756 0.650907 F\n0.938071 0.212219 0.394562 F\n0.250000 0.526148 0.058137 F\n0.439646 0.581775 0.825733 F\n0.250000 0.079397 0.501723 F\n0.956529 0.737956 0.050839 F\n0.250000 0.480201 0.621044 F\n0.043471 0.262044 0.949161 F\n0.560354 0.418225 0.174267 F\n0.939646 0.418225 0.174267 F\n0.750000 0.473852 0.941863 F\n0.061929 0.787781 0.605438 F\n0.250000 0.895875 0.821765 F\n0.750000 0.104125 0.178235 F\n0.459862 0.866244 0.349093 F\n0.750000 0.519799 0.378956 F\n0.540138 0.133756 0.650907 F\n0.561929 0.212219 0.394562 F\n0.060354 0.581775 0.825733 F\n0.750000 0.920603 0.498277 F\n0.543471 0.737956 0.050839 F\n",
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"volume": 489.9209164755379,
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"formula_full": "K4 Na2 Al6 F24",
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{
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"structure_string": "Co4 P16 O44\n1.0\n12.471923 0.000000 0.000000\n0.000000 8.288162 0.000000\n0.000000 7.384906 8.514516\nCo P O\n4 16 44\ndirect\n0.467612 0.493208 0.734344 Co\n0.967612 0.506792 0.765656 Co\n0.032388 0.493208 0.234344 Co\n0.532388 0.506792 0.265656 Co\n0.211535 0.501674 0.602804 P\n0.165133 0.849871 0.265480 P\n0.496189 0.839265 0.340636 P\n0.847552 0.848773 0.401438 P\n0.347552 0.151227 0.098562 P\n0.996189 0.160735 0.159364 P\n0.711535 0.498326 0.897196 P\n0.665133 0.150129 0.234520 P\n0.334867 0.849871 0.765480 P\n0.288465 0.501674 0.102804 P\n0.003811 0.839265 0.840636 P\n0.652448 0.848773 0.901438 P\n0.152448 0.151227 0.598562 P\n0.503811 0.160735 0.659364 P\n0.834867 0.150129 0.734520 P\n0.788465 0.498326 0.397196 P\n0.898863 0.277923 0.755308 O\n0.469499 0.710179 0.296191 O\n0.780905 0.668013 0.426758 O\n0.101965 0.500832 0.653827 O\n0.310144 0.469016 0.688857 O\n0.417505 0.216913 0.968844 O\n0.232936 0.723114 0.421256 O\n0.255058 0.989771 0.132060 O\n0.905463 0.969756 0.237611 O\n0.600778 0.985882 0.234370 O\n0.512664 0.750552 0.504380 O\n0.012664 0.249448 0.995620 O\n0.100778 0.014118 0.265630 O\n0.917505 0.783087 0.531156 O\n0.810144 0.530984 0.811143 O\n0.405463 0.030244 0.262389 O\n0.601965 0.499168 0.846173 O\n0.755058 0.010229 0.367940 O\n0.732936 0.276886 0.078744 O\n0.280905 0.331987 0.073242 O\n0.398863 0.722077 0.744692 O\n0.030501 0.710179 0.796191 O\n0.969499 0.289821 0.203809 O\n0.601137 0.277923 0.255308 O\n0.719095 0.668013 0.926758 O\n0.267064 0.723114 0.921256 O\n0.244942 0.989771 0.632060 O\n0.398035 0.500832 0.153827 O\n0.594537 0.969756 0.737611 O\n0.189856 0.469016 0.188857 O\n0.082495 0.216913 0.468844 O\n0.899222 0.985882 0.734370 O\n0.987336 0.750552 0.004380 O\n0.487336 0.249448 0.495620 O\n0.399222 0.014118 0.765630 O\n0.094537 0.030244 0.762389 O\n0.744942 0.010229 0.867940 O\n0.767064 0.276886 0.578744 O\n0.582495 0.783087 0.031156 O\n0.689856 0.530984 0.311143 O\n0.898035 0.499168 0.346173 O\n0.219095 0.331987 0.573242 O\n0.530501 0.289821 0.703809 O\n0.101137 0.722077 0.244692 O\n",
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{
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{
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{
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"structure_string": "Cs1 Hg1 Cl3\n1.0\n3.823968 -3.813077 0.000000\n3.823968 3.813077 0.000000\n0.021752 0.000000 5.400168\nCs Hg Cl\n1 1 3\ndirect\n0.008852 0.008852 0.008852 Cs\n0.518239 0.518239 0.518239 Hg\n0.017309 0.516800 0.516800 Cl\n0.516800 0.516800 0.017309 Cl\n0.516800 0.017309 0.516800 Cl\n",
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{
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{
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}