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{
"id": "mp-759018",
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"structure_string": "Li4 Mn8 P12 O48\n1.0\n8.489626 0.000000 0.000000\n0.005610 8.501290 0.000000\n0.002819 0.018776 11.827462\nLi Mn P O\n4 8 12 48\ndirect\n0.287077 0.724194 0.318624 Li\n0.787707 0.774275 0.818520 Li\n0.936807 0.082916 0.289078 Li\n0.938552 0.416044 0.710991 Li\n0.250010 0.531575 0.116522 Mn\n0.251858 0.965272 0.879237 Mn\n0.255138 0.040339 0.383885 Mn\n0.257869 0.465450 0.618414 Mn\n0.750606 0.536026 0.379204 Mn\n0.748928 0.967186 0.616616 Mn\n0.744611 0.034988 0.114249 Mn\n0.741904 0.458995 0.887886 Mn\n0.037996 0.749208 0.501693 P\n0.109366 0.607964 0.854285 P\n0.106760 0.895879 0.144031 P\n0.398960 0.391158 0.354552 P\n0.395899 0.107822 0.646849 P\n0.457790 0.247796 0.000400 P\n0.534841 0.750442 0.001496 P\n0.609733 0.893118 0.353728 P\n0.608020 0.603568 0.644663 P\n0.894511 0.395348 0.147101 P\n0.897681 0.106371 0.854427 P\n0.959344 0.251622 0.500151 P\n0.058932 0.355557 0.579256 O\n0.057124 0.143816 0.421193 O\n0.075067 0.403907 0.159666 O\n0.076657 0.098823 0.839703 O\n0.157310 0.934408 0.024547 O\n0.157842 0.565691 0.974112 O\n0.149781 0.842433 0.420203 O\n0.145690 0.654135 0.581002 O\n0.159256 0.728143 0.179830 O\n0.150636 0.777092 0.821631 O\n0.172235 0.018125 0.230399 O\n0.172078 0.482106 0.770557 O\n0.319945 0.513641 0.274148 O\n0.318677 0.985250 0.725658 O\n0.349661 0.277334 0.678575 O\n0.349675 0.223592 0.321364 O\n0.351583 0.341129 0.081684 O\n0.350739 0.155995 0.919898 O\n0.344707 0.435812 0.473647 O\n0.345875 0.067995 0.525587 O\n0.427256 0.902857 0.338217 O\n0.428184 0.597477 0.662638 O\n0.440583 0.641444 0.078519 O\n0.440908 0.856372 0.921543 O\n0.554535 0.355290 0.920876 O\n0.558325 0.144024 0.078627 O\n0.578487 0.399382 0.340353 O\n0.576880 0.098596 0.659228 O\n0.656369 0.933357 0.474588 O\n0.655762 0.566355 0.523953 O\n0.646618 0.842334 0.080341 O\n0.648076 0.658067 0.920360 O\n0.648583 0.722706 0.321562 O\n0.659034 0.772510 0.679895 O\n0.692143 0.015265 0.276307 O\n0.693692 0.484572 0.723943 O\n0.817201 0.517017 0.225764 O\n0.818326 0.985180 0.774222 O\n0.850533 0.223302 0.177450 O\n0.850428 0.276615 0.823056 O\n0.853460 0.343215 0.418389 O\n0.853107 0.159143 0.581890 O\n0.843624 0.432465 0.025979 O\n0.842937 0.064062 0.973374 O\n0.925595 0.907682 0.161263 O\n0.925396 0.595179 0.839356 O\n0.940588 0.644929 0.422055 O\n0.941288 0.858065 0.577970 O\n",
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"formula_full": "Li4 Mn8 P12 O48",
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},
{
"id": "mp-768456",
"created_at": "2022-09-04T14:39:35.558123Z",
"structure_string": "Co8 S12 O48\n1.0\n8.450404 0.000000 0.000000\n0.000000 8.537112 0.000000\n0.000000 0.000000 11.833076\nCo S O\n8 12 48\ndirect\n0.968917 0.250369 0.121864 Co\n0.468917 0.749631 0.121864 Co\n0.968917 0.750369 0.378136 Co\n0.468917 0.249631 0.378136 Co\n0.031083 0.249631 0.621864 Co\n0.531083 0.750369 0.621864 Co\n0.531083 0.250369 0.878136 Co\n0.031083 0.749631 0.878136 Co\n0.250000 0.461152 0.000000 S\n0.750000 0.538848 0.000000 S\n0.605756 0.102740 0.145476 S\n0.105756 0.897260 0.145476 S\n0.105756 0.397260 0.354524 S\n0.605756 0.602740 0.354524 S\n0.750000 0.038848 0.500000 S\n0.250000 0.961152 0.500000 S\n0.394244 0.397260 0.645476 S\n0.894244 0.602740 0.645476 S\n0.894244 0.102740 0.854524 S\n0.394244 0.897260 0.854524 S\n0.569407 0.140861 0.027381 O\n0.069407 0.859139 0.027381 O\n0.365231 0.558801 0.062566 O\n0.865231 0.441199 0.062566 O\n0.169665 0.361501 0.084069 O\n0.669665 0.638499 0.084069 O\n0.104243 0.071612 0.160742 O\n0.604243 0.928388 0.160742 O\n0.763398 0.159378 0.180102 O\n0.263398 0.840622 0.180102 O\n0.981282 0.829005 0.219470 O\n0.481282 0.170995 0.219470 O\n0.981282 0.329005 0.280530 O\n0.481282 0.670995 0.280530 O\n0.763398 0.659378 0.319898 O\n0.263398 0.340622 0.319898 O\n0.604243 0.428388 0.339258 O\n0.104243 0.571612 0.339258 O\n0.669665 0.138499 0.415931 O\n0.169665 0.861501 0.415931 O\n0.365231 0.058801 0.437434 O\n0.865231 0.941199 0.437434 O\n0.569407 0.640861 0.472619 O\n0.069407 0.359139 0.472619 O\n0.430593 0.359139 0.527381 O\n0.930593 0.640861 0.527381 O\n0.134769 0.058801 0.562566 O\n0.634769 0.941199 0.562566 O\n0.830335 0.138499 0.584069 O\n0.330335 0.861501 0.584069 O\n0.895757 0.428388 0.660742 O\n0.395757 0.571612 0.660742 O\n0.236602 0.340622 0.680102 O\n0.736602 0.659378 0.680102 O\n0.518718 0.329005 0.719470 O\n0.018718 0.670995 0.719470 O\n0.018718 0.170995 0.780530 O\n0.518718 0.829005 0.780530 O\n0.736602 0.159378 0.819898 O\n0.236602 0.840622 0.819898 O\n0.395757 0.071612 0.839258 O\n0.895757 0.928388 0.839258 O\n0.330335 0.361501 0.915931 O\n0.830335 0.638499 0.915931 O\n0.634769 0.441199 0.937434 O\n0.134769 0.558801 0.937434 O\n0.930593 0.140861 0.972619 O\n0.430593 0.859139 0.972619 O\n",
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"volume": 853.6623059337536,
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"energy": -446.12442785,
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"spacegroup": 60
},
{
"id": "mp-1225477",
"created_at": "2022-09-04T14:39:46.283748Z",
"structure_string": "Er20 Ni2 Sb10\n1.0\n7.895659 0.000000 0.000000\n0.000000 9.165790 0.000000\n0.000000 0.000000 11.796333\nEr Ni Sb\n20 2 10\ndirect\n0.430964 0.182680 0.564605 Er\n0.569036 0.817320 0.064605 Er\n0.066354 0.719816 0.434581 Er\n0.933646 0.280184 0.934581 Er\n0.066354 0.280184 0.434581 Er\n0.933646 0.719816 0.934581 Er\n0.430964 0.817320 0.564605 Er\n0.569036 0.182680 0.064605 Er\n0.574363 0.500000 0.774581 Er\n0.425637 0.500000 0.274581 Er\n0.911604 0.000000 0.206623 Er\n0.088396 0.000000 0.706623 Er\n0.268338 0.500000 0.995060 Er\n0.731662 0.500000 0.495060 Er\n0.204750 0.000000 0.999996 Er\n0.795250 0.000000 0.499996 Er\n0.092730 0.500000 0.714605 Er\n0.907270 0.500000 0.214605 Er\n0.381371 0.000000 0.302323 Er\n0.618629 0.000000 0.802323 Er\n0.163907 0.000000 0.484231 Ni\n0.836093 0.000000 0.984231 Ni\n0.814780 0.740746 0.673011 Sb\n0.185220 0.259254 0.173011 Sb\n0.682234 0.242170 0.326271 Sb\n0.317766 0.757830 0.826271 Sb\n0.682234 0.757830 0.326271 Sb\n0.317766 0.242170 0.826271 Sb\n0.814780 0.259254 0.673011 Sb\n0.185220 0.740746 0.173011 Sb\n0.343119 0.500000 0.525645 Sb\n0.656881 0.500000 0.025645 Sb\n",
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"formula_full": "Er20 Ni2 Sb10",
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{
"id": "mp-780394",
"created_at": "2022-09-04T14:46:05.126501Z",
"structure_string": "Li4 Mn12 P12 O44\n1.0\n9.150704 0.000000 0.000000\n0.000000 8.073261 0.000000\n0.000000 1.247739 11.555956\nLi Mn P O\n4 12 12 44\ndirect\n0.744784 0.885980 0.505209 Li\n0.755216 0.885980 0.005209 Li\n0.244784 0.114020 0.994791 Li\n0.255216 0.114020 0.494791 Li\n0.373443 0.929645 0.759706 Mn\n0.126557 0.929645 0.259706 Mn\n0.350387 0.543228 0.931993 Mn\n0.397419 0.563289 0.647022 Mn\n0.149613 0.543228 0.431993 Mn\n0.897419 0.436711 0.852978 Mn\n0.102581 0.563289 0.147022 Mn\n0.850387 0.456772 0.568007 Mn\n0.602581 0.436711 0.352978 Mn\n0.649613 0.456772 0.068007 Mn\n0.873443 0.070355 0.740294 Mn\n0.626557 0.070355 0.240294 Mn\n0.068480 0.788970 0.895961 P\n0.068965 0.774848 0.645684 P\n0.431520 0.788970 0.395961 P\n0.674199 0.685209 0.786240 P\n0.431035 0.774848 0.145684 P\n0.825801 0.685209 0.286240 P\n0.174199 0.314791 0.713760 P\n0.568965 0.225152 0.854316 P\n0.325801 0.314791 0.213760 P\n0.568480 0.211030 0.604039 P\n0.931035 0.225152 0.354316 P\n0.931520 0.211030 0.104039 P\n0.000006 0.960685 0.883890 O\n0.991621 0.940794 0.620866 O\n0.499994 0.960685 0.383890 O\n0.722702 0.866017 0.770421 O\n0.237690 0.788644 0.896661 O\n0.508379 0.940794 0.120866 O\n0.777298 0.866017 0.270421 O\n0.237344 0.783242 0.647405 O\n0.262310 0.788644 0.396661 O\n0.500180 0.678287 0.783780 O\n0.021553 0.696137 0.779489 O\n0.262656 0.783242 0.147405 O\n0.493650 0.673366 0.496180 O\n0.729947 0.599798 0.906325 O\n0.014760 0.649597 0.564782 O\n0.999820 0.678287 0.283780 O\n0.478447 0.696137 0.279489 O\n0.734632 0.580428 0.692514 O\n0.006350 0.673366 0.996180 O\n0.770053 0.599798 0.406325 O\n0.485240 0.649597 0.064782 O\n0.765368 0.580428 0.192514 O\n0.234632 0.419572 0.807486 O\n0.514760 0.350403 0.935218 O\n0.229947 0.400202 0.593675 O\n0.993650 0.326634 0.003820 O\n0.265368 0.419572 0.307486 O\n0.521553 0.303863 0.720511 O\n0.000180 0.321713 0.716220 O\n0.985240 0.350403 0.435218 O\n0.270053 0.400202 0.093675 O\n0.506350 0.326634 0.503820 O\n0.737344 0.216758 0.852595 O\n0.978447 0.303863 0.220511 O\n0.499820 0.321713 0.216220 O\n0.737690 0.211356 0.603339 O\n0.762656 0.216758 0.352595 O\n0.222702 0.133983 0.729579 O\n0.491621 0.059206 0.879134 O\n0.762310 0.211356 0.103339 O\n0.277298 0.133983 0.229579 O\n0.500006 0.039315 0.616110 O\n0.008379 0.059206 0.379134 O\n0.999994 0.039315 0.116110 O\n",
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{
"id": "mp-1044935",
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"structure_string": "Zn4 Sb8 P8 O36\n1.0\n6.291869 0.000000 0.000000\n0.000000 7.503027 0.000000\n0.000000 0.000000 18.084103\nZn Sb P O\n4 8 8 36\ndirect\n0.557930 0.569539 0.005205 Zn\n0.942070 0.430461 0.505205 Zn\n0.057930 0.930461 0.994795 Zn\n0.442070 0.069539 0.494795 Zn\n0.110073 0.481791 0.145322 Sb\n0.889927 0.981791 0.354678 Sb\n0.610073 0.018209 0.854678 Sb\n0.389927 0.518209 0.645322 Sb\n0.551936 0.195950 0.194464 Sb\n0.051936 0.304050 0.805536 Sb\n0.948064 0.804050 0.694464 Sb\n0.448064 0.695950 0.305536 Sb\n0.070087 0.028556 0.169224 P\n0.929913 0.528556 0.330776 P\n0.570087 0.471444 0.830776 P\n0.429913 0.971444 0.669224 P\n0.051876 0.521406 0.973151 P\n0.448124 0.478594 0.473151 P\n0.551876 0.978594 0.026849 P\n0.948124 0.021406 0.526849 P\n0.935178 0.873079 0.586861 O\n0.064822 0.373079 0.913139 O\n0.435178 0.626921 0.413139 O\n0.564822 0.126921 0.086861 O\n0.059772 0.706163 0.938190 O\n0.940228 0.206163 0.561810 O\n0.559772 0.793837 0.061810 O\n0.440228 0.293837 0.438190 O\n0.211717 0.955853 0.711135 O\n0.788283 0.455853 0.788865 O\n0.711717 0.544147 0.288865 O\n0.288283 0.044147 0.211135 O\n0.409718 0.421036 0.166840 O\n0.590282 0.921036 0.333160 O\n0.909718 0.078964 0.833160 O\n0.090282 0.578964 0.666840 O\n0.249579 0.489599 0.026770 O\n0.750421 0.989599 0.473230 O\n0.749579 0.010401 0.973230 O\n0.250421 0.510401 0.526770 O\n0.419941 0.092919 0.603424 O\n0.580059 0.592919 0.896576 O\n0.919941 0.407081 0.396576 O\n0.080059 0.907081 0.103424 O\n0.503978 0.274675 0.857831 O\n0.496022 0.774675 0.642169 O\n0.003978 0.225325 0.142169 O\n0.996022 0.725325 0.357831 O\n0.093221 0.463495 0.273556 O\n0.356513 0.012455 0.976115 O\n0.143487 0.987545 0.476115 O\n0.856513 0.487545 0.023885 O\n0.406779 0.536505 0.773556 O\n0.593221 0.036505 0.726444 O\n0.906779 0.963495 0.226444 O\n0.643487 0.512455 0.523885 O\n",
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{
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"structure_string": "Hf2 Al1 Re1\n1.0\n-8.943317 0.000000 -5.163427\n-9.031045 -0.803158 5.315376\n-5.612842 8.864981 -0.605126\nHf Al Re\n2 1 1\ndirect\n0.724916 0.000000 0.000000 Hf\n0.275084 0.000000 0.000000 Hf\n0.000000 0.000000 0.000000 Al\n0.500000 0.000000 0.000000 Re\n",
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{
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}