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{
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{
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"formula_full": "Ca2 H32 O20",
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"spacegroup": 7
},
{
"id": "mp-1233067",
"created_at": "2022-09-04T14:41:56.202478Z",
"structure_string": "Ca1 Si6 O12\n1.0\n4.692068 -0.183693 1.844877\n1.667953 6.602463 2.266922\n-0.011291 -0.116743 8.245070\nCa Si O\n1 6 12\ndirect\n0.712184 0.153469 0.600145 Ca\n0.348691 0.325549 0.309911 Si\n0.011168 0.211277 0.146526 Si\n0.658605 0.660885 0.668590 Si\n0.982827 0.806644 0.872616 Si\n0.083413 0.259401 0.766321 Si\n0.977832 0.756126 0.257187 Si\n0.801295 0.425272 0.683744 O\n0.926124 0.049111 0.829702 O\n0.239676 0.568813 0.297629 O\n0.089880 0.965881 0.187112 O\n0.190102 0.182332 0.486005 O\n0.929541 0.326258 0.966879 O\n0.312409 0.699117 0.774744 O\n0.785177 0.779097 0.760543 O\n0.700655 0.275962 0.303910 O\n0.293492 0.281608 0.142184 O\n0.887151 0.727947 0.092213 O\n0.719777 0.768464 0.452252 O\n",
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{
"id": "mp-1029565",
"created_at": "2022-09-04T14:41:56.849328Z",
"structure_string": "Na12 W8 N20\n1.0\n-6.105418 6.105418 4.364211\n6.105418 -6.105418 4.364211\n6.105418 6.105418 -4.364211\nNa W N\n12 8 20\ndirect\n0.881027 0.544140 0.880034 Na\n0.664107 0.000993 0.119966 Na\n0.794140 0.414107 0.163113 Na\n0.250993 0.631027 0.836887 Na\n0.589799 0.821622 0.373885 Na\n0.447737 0.215914 0.626115 Na\n0.071622 0.197737 0.731823 Na\n0.465914 0.339799 0.268177 Na\n0.931949 0.931949 0.000000 Na\n0.181949 0.681949 0.500000 Na\n0.775304 0.275304 0.500000 Na\n0.525304 0.525304 0.000000 Na\n0.637461 0.037190 0.777718 W\n0.259472 0.859743 0.222282 W\n0.287190 0.009472 0.899729 W\n0.109743 0.387461 0.100271 W\n0.885607 0.699326 0.618212 W\n0.081114 0.267395 0.381788 W\n0.949326 0.831114 0.313719 W\n0.517395 0.635607 0.686281 W\n0.690684 0.209405 0.705509 N\n0.503896 0.985175 0.294491 N\n0.459405 0.253896 0.018721 N\n0.235175 0.440684 0.981279 N\n0.857667 0.694618 0.112840 N\n0.581779 0.744827 0.887160 N\n0.944618 0.331779 0.336951 N\n0.994827 0.607667 0.663049 N\n0.854870 0.168530 0.965142 N\n0.203387 0.889728 0.034858 N\n0.418530 0.953387 0.813659 N\n0.139728 0.604870 0.186341 N\n0.818064 0.653581 0.400952 N\n0.252629 0.417112 0.599048 N\n0.903581 0.002629 0.335517 N\n0.667112 0.568064 0.664483 N\n0.072980 0.961158 0.753590 N\n0.207568 0.319390 0.246410 N\n0.211158 0.957568 0.388178 N\n0.569390 0.822980 0.611822 N\n",
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},
{
"id": "mp-1034712",
"created_at": "2022-09-04T14:41:55.523516Z",
"structure_string": "Ba1 Sr1 Mg14 O16\n1.0\n8.776355 0.000000 0.000000\n0.000000 9.132540 0.000000\n-0.000000 0.000000 4.576081\nBa Sr Mg O\n1 1 14 16\ndirect\n-0.000000 0.500000 0.000000 Ba\n-0.000000 -0.000000 0.000000 Sr\n0.500000 -0.000000 0.000000 Mg\n0.500000 0.500000 0.000000 Mg\n-0.000000 0.244503 0.500000 Mg\n-0.000000 0.755497 0.500000 Mg\n0.500000 0.249394 0.500000 Mg\n0.500000 0.750606 0.500000 Mg\n0.261390 -0.000000 0.500000 Mg\n0.264744 0.500000 0.500000 Mg\n0.738610 -0.000000 0.500000 Mg\n0.735256 0.500000 0.500000 Mg\n0.263036 0.246916 -0.000000 Mg\n0.263036 0.753084 -0.000000 Mg\n0.736964 0.246916 0.000000 Mg\n0.736964 0.753084 0.000000 Mg\n0.274050 -0.000000 -0.000000 O\n0.282228 0.500000 -0.000000 O\n0.725950 -0.000000 0.000000 O\n0.717772 0.500000 0.000000 O\n0.251743 0.249700 0.500000 O\n0.251743 0.750300 0.500000 O\n0.748257 0.249700 0.500000 O\n0.748257 0.750300 0.500000 O\n-0.000000 -0.000000 0.500000 O\n-0.000000 0.500000 0.500000 O\n0.500000 -0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n-0.000000 0.241461 -0.000000 O\n-0.000000 0.758539 0.000000 O\n0.500000 0.246687 -0.000000 O\n0.500000 0.753313 0.000000 O\n",
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{
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{
"id": "mp-758572",
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"structure_string": "Li8 Fe8 Si8 O32\n1.0\n5.222914 0.000000 0.000000\n0.000000 10.574149 0.000000\n0.000000 0.000000 12.963027\nLi Fe Si O\n8 8 8 32\ndirect\n0.076972 0.049591 0.244354 Li\n0.570745 0.209308 0.999690 Li\n0.570745 0.290692 0.499690 Li\n0.076972 0.450409 0.744354 Li\n0.923028 0.549591 0.244354 Li\n0.429255 0.709308 0.999690 Li\n0.429255 0.790692 0.499690 Li\n0.923028 0.950409 0.744354 Li\n0.415939 0.042517 0.626105 Fe\n0.057383 0.212430 0.872800 Fe\n0.057383 0.287570 0.372800 Fe\n0.415939 0.457483 0.126105 Fe\n0.584061 0.542517 0.626105 Fe\n0.942617 0.712430 0.872800 Fe\n0.942617 0.787570 0.372800 Fe\n0.584061 0.957483 0.126105 Fe\n0.903466 0.035270 0.495823 Si\n0.560657 0.206406 0.250669 Si\n0.560657 0.293594 0.750669 Si\n0.903466 0.464730 0.995823 Si\n0.096534 0.535270 0.495823 Si\n0.439343 0.706406 0.250669 Si\n0.439343 0.793594 0.750669 Si\n0.096534 0.964730 0.995823 Si\n0.932008 0.998818 0.101689 O\n0.608739 0.983548 0.512618 O\n0.462304 0.059789 0.235470 O\n0.980210 0.037972 0.892890 O\n0.484186 0.215908 0.644509 O\n0.912242 0.190417 0.480677 O\n0.874861 0.287845 0.763167 O\n0.415828 0.236455 0.853939 O\n0.415828 0.263545 0.353939 O\n0.874861 0.212155 0.263167 O\n0.912242 0.309583 0.980677 O\n0.484186 0.284092 0.144509 O\n0.980210 0.462028 0.392890 O\n0.462304 0.440211 0.735470 O\n0.608739 0.516452 0.012618 O\n0.932008 0.501182 0.601689 O\n0.067992 0.498818 0.101689 O\n0.391261 0.483548 0.512618 O\n0.537696 0.559789 0.235470 O\n0.019790 0.537972 0.892890 O\n0.515814 0.715908 0.644509 O\n0.087758 0.690417 0.480677 O\n0.125139 0.787845 0.763167 O\n0.584172 0.736455 0.853939 O\n0.584172 0.763545 0.353939 O\n0.125139 0.712155 0.263167 O\n0.087758 0.809583 0.980677 O\n0.515814 0.784092 0.144509 O\n0.019790 0.962028 0.392890 O\n0.537696 0.940211 0.735470 O\n0.391261 0.016452 0.012618 O\n0.067992 0.001182 0.601689 O\n",
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"formula_full": "Li8 Fe8 Si8 O32",
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{
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"structure_string": "Cr4 H4 O8\n1.0\n-1.608091 2.601446 0.003695\n-1.297531 -2.601232 0.949976\n5.401709 5.168112 16.463412\nCr H O\n4 4 8\ndirect\n0.499408 0.500599 0.501601 Cr\n0.748960 0.250441 0.751855 Cr\n0.999336 0.000811 0.001607 Cr\n0.250016 0.750378 0.251469 Cr\n0.872366 0.127911 0.384083 H\n0.121693 0.878034 0.634341 H\n0.371688 0.628073 0.884285 H\n0.622341 0.377991 0.134057 H\n0.898220 0.102624 0.305295 O\n0.147778 0.852078 0.555393 O\n0.397115 0.602028 0.805648 O\n0.647446 0.352698 0.055398 O\n0.852775 0.147053 0.443702 O\n0.101999 0.897659 0.693923 O\n0.352221 0.647839 0.943896 O\n0.603238 0.397182 0.193652 O\n",
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