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{
"id": "mp-1020947",
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"formula_full": "Y12 P36 O108",
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"energy": -1276.4277723999996,
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"spacegroup": 14
},
{
"id": "mp-755882",
"created_at": "2022-09-04T14:46:09.377749Z",
"structure_string": "Mn2 Al4 O8\n1.0\n0.000000 -3.390896 4.795540\n5.873276 0.000000 0.000000\n2.936638 5.086436 -0.000023\nMn Al O\n2 4 8\ndirect\n0.750000 0.750000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.375000 0.375000 0.250000 Al\n0.875000 0.375000 0.250000 Al\n0.375000 0.375000 0.750000 Al\n0.375000 0.875000 0.750000 Al\n0.141703 0.141699 0.283408 O\n0.608297 0.175106 0.216592 O\n0.574894 0.141703 0.716592 O\n0.141699 0.141703 0.716592 O\n0.608297 0.608301 0.216592 O\n0.141703 0.574894 0.283408 O\n0.608301 0.608297 0.783408 O\n0.175106 0.608297 0.783408 O\n",
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"volume": 143.26170763496648,
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"formula_full": "Mn2 Al4 O8",
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"formula_anonymous": "AB2C4",
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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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"formula_full": "Li4 Mn12 P12 O44",
"formula_reduced": "LiMn3P3O11",
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"spacegroup": 14
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{
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"structure_string": "K2 H4 N2\n1.0\n3.824061 0.000000 0.000000\n0.000000 4.625007 0.000000\n0.000000 0.597969 6.254648\nK H N\n2 4 2\ndirect\n0.250000 0.776152 0.313377 K\n0.750000 0.223848 0.686624 K\n0.542752 0.296942 0.131374 H\n0.042752 0.703058 0.868626 H\n0.957248 0.296942 0.131374 H\n0.457248 0.703058 0.868626 H\n0.750000 0.272513 0.236933 N\n0.250000 0.727487 0.763067 N\n",
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"formula_full": "K2 H4 N2",
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{
"id": "mp-767576",
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"structure_string": "Li24 Mn4 O16 F4\n1.0\n-4.786201 -2.579780 0.000296\n4.614234 -7.423633 -0.000096\n-0.086477 -5.001889 9.505821\nLi Mn O F\n24 4 16 4\ndirect\n0.147642 0.549261 0.746480 Li\n0.647579 0.049152 0.746537 Li\n0.355800 0.954299 0.246614 Li\n0.855835 0.454272 0.246611 Li\n0.287885 0.659277 0.242017 Li\n0.787868 0.159232 0.242036 Li\n0.219973 0.848804 0.741991 Li\n0.720072 0.348738 0.742040 Li\n0.616415 0.105011 0.001065 Li\n0.116530 0.605025 0.001030 Li\n0.132324 0.643914 0.501043 Li\n0.632332 0.143891 0.501046 Li\n0.410708 0.869115 0.504656 Li\n0.910626 0.369104 0.504720 Li\n0.334703 0.876106 0.004642 Li\n0.834683 0.376141 0.004628 Li\n0.384375 0.392943 0.450892 Li\n0.884534 0.892994 0.450864 Li\n0.914780 0.906545 0.950887 Li\n0.414679 0.406398 0.950909 Li\n0.146479 0.139957 0.059057 Li\n0.646657 0.640047 0.058986 Li\n0.544593 0.551034 0.559038 Li\n0.044571 0.051045 0.559064 Li\n0.736007 0.727024 0.740711 Mn\n0.773272 0.782107 0.240855 Mn\n0.236013 0.227227 0.740765 Mn\n0.273394 0.282421 0.240649 Mn\n0.474707 0.750390 0.389198 O\n0.974845 0.250467 0.389176 O\n0.886257 0.610263 0.889020 O\n0.386159 0.110237 0.889111 O\n0.585127 0.862426 0.100697 O\n0.084951 0.362426 0.100640 O\n0.064166 0.787001 0.600551 O\n0.564075 0.286993 0.600557 O\n0.116349 0.412087 0.614541 O\n0.616348 0.911998 0.614494 O\n0.518913 0.223633 0.114273 O\n0.018886 0.723563 0.114330 O\n0.993238 0.974711 0.251568 O\n0.493307 0.474767 0.251553 O\n0.505070 0.523575 0.751595 O\n0.005175 0.023744 0.751549 O\n0.933611 0.248303 0.899485 F\n0.433832 0.748263 0.899471 F\n0.417378 0.102050 0.399154 F\n0.917283 0.602019 0.399200 F\n",
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"formula_full": "Li24 Mn4 O16 F4",
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{
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