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{
"id": "mp-1009756",
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{
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"structure_string": "Na4 Li8 Mn4 P4 C4 O28\n1.0\n0.131868 6.771745 5.074220\n0.131695 -6.771890 5.074419\n8.682680 0.000107 0.253556\nNa Li Mn P C O\n4 8 4 4 4 28\ndirect\n0.628235 0.631214 0.245447 Na\n0.128266 0.131218 0.245477 Na\n0.618767 0.121746 0.754575 Na\n0.118786 0.621775 0.754563 Na\n0.512731 0.249634 0.103368 Li\n0.012719 0.749629 0.103318 Li\n0.500365 0.737249 0.896676 Li\n0.000350 0.237249 0.896688 Li\n0.352345 0.889617 0.278663 Li\n0.852357 0.389648 0.278572 Li\n0.860322 0.897611 0.721316 Li\n0.360422 0.397701 0.721412 Li\n0.260584 0.518977 0.350904 Mn\n0.731085 0.489360 0.648984 Mn\n0.760653 0.019013 0.350873 Mn\n0.231189 0.989529 0.649058 Mn\n0.482403 0.237208 0.410075 P\n0.982436 0.737238 0.410062 P\n0.512809 0.767603 0.589926 P\n0.012786 0.267555 0.589949 P\n0.741094 0.976351 0.038940 C\n0.241120 0.476374 0.038967 C\n0.273621 0.008872 0.961094 C\n0.773606 0.508843 0.961025 C\n0.322795 0.040478 0.100038 O\n0.822787 0.540520 0.099954 O\n0.709509 0.927200 0.899988 O\n0.209500 0.427195 0.900033 O\n0.867506 0.098282 0.066552 O\n0.367543 0.598302 0.066540 O\n0.151694 0.882475 0.933493 O\n0.651670 0.382414 0.933499 O\n0.641035 0.900989 0.152963 O\n0.141070 0.401025 0.153013 O\n0.349002 0.108940 0.847073 O\n0.848961 0.608840 0.846953 O\n0.428080 0.365798 0.308689 O\n0.928134 0.865833 0.308652 O\n0.384167 0.821828 0.691359 O\n0.884121 0.321792 0.691334 O\n0.631465 0.207303 0.316863 O\n0.131506 0.707335 0.316853 O\n0.542807 0.618569 0.683115 O\n0.042732 0.118510 0.683143 O\n0.339765 0.072785 0.426410 O\n0.839791 0.572802 0.426323 O\n0.677184 0.910307 0.573559 O\n0.177180 0.410233 0.573644 O\n0.454578 0.724098 0.424992 O\n0.954601 0.224092 0.424991 O\n0.525857 0.295395 0.575036 O\n0.025905 0.795447 0.575010 O\n",
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"formula_full": "Na4 Li8 Mn4 P4 C4 O28",
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"spacegroup": 4
},
{
"id": "mp-1222763",
"created_at": "2022-09-04T14:42:48.229130Z",
"structure_string": "La1 Sm1 B12\n1.0\n4.135444 0.000000 0.000000\n0.000000 4.135444 0.000000\n0.000000 0.000000 8.274500\nLa Sm B\n1 1 12\ndirect\n0.000000 0.000000 0.500000 La\n0.000000 0.000000 0.000000 Sm\n0.199284 0.500000 0.248938 B\n0.199284 0.500000 0.751062 B\n0.500000 0.500000 0.399309 B\n0.500000 0.500000 0.900662 B\n0.500000 0.199284 0.248938 B\n0.500000 0.199284 0.751062 B\n0.500000 0.500000 0.099338 B\n0.500000 0.500000 0.600691 B\n0.500000 0.800716 0.248938 B\n0.500000 0.800716 0.751062 B\n0.800716 0.500000 0.248938 B\n0.800716 0.500000 0.751062 B\n",
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},
{
"id": "mp-1218261",
"created_at": "2022-09-04T14:42:48.233271Z",
"structure_string": "Sr2 Ho2 Mn4 O12\n1.0\n5.447718 0.000000 0.000000\n0.000000 5.577909 0.000000\n0.000000 0.000000 7.661502\nSr Ho Mn O\n2 2 4 12\ndirect\n0.503558 0.277670 0.500000 Sr\n0.003558 0.722330 0.000000 Sr\n0.983164 0.811578 0.500000 Ho\n0.483164 0.188422 0.000000 Ho\n0.999596 0.256334 0.750931 Mn\n0.499596 0.743666 0.250931 Mn\n0.999596 0.256334 0.249069 Mn\n0.499596 0.743666 0.749069 Mn\n0.225886 0.977881 0.786283 O\n0.303480 0.449365 0.200644 O\n0.803480 0.550635 0.299356 O\n0.725886 0.022119 0.713717 O\n0.803480 0.550635 0.700644 O\n0.725886 0.022119 0.286283 O\n0.225886 0.977881 0.213717 O\n0.303480 0.449365 0.799356 O\n0.057358 0.217932 0.500000 O\n0.397996 0.736389 0.500000 O\n0.897996 0.263611 0.000000 O\n0.557358 0.782068 0.000000 O\n",
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"density": 6.539512130276936,
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"volume": 232.80910559097393,
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"spacegroup": 31
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{
"id": "mp-1197115",
"created_at": "2022-09-04T14:42:48.235397Z",
"structure_string": "Dy10 Ge20 Ir8\n1.0\n13.044531 0.000000 0.000000\n0.000000 13.044531 0.000000\n0.000000 0.000000 4.350903\nDy Ge Ir\n10 20 8\ndirect\n0.500000 0.500000 0.000000 Dy\n0.000000 0.000000 0.000000 Dy\n0.673870 0.173870 0.500000 Dy\n0.326130 0.826130 0.500000 Dy\n0.173870 0.326130 0.500000 Dy\n0.826130 0.673870 0.500000 Dy\n0.884287 0.384287 0.500000 Dy\n0.115713 0.615713 0.500000 Dy\n0.384287 0.115713 0.500000 Dy\n0.615713 0.884287 0.500000 Dy\n0.566616 0.066616 0.000000 Ge\n0.433384 0.933384 0.000000 Ge\n0.066616 0.433384 0.000000 Ge\n0.933384 0.566616 0.000000 Ge\n0.662518 0.699893 0.000000 Ge\n0.337482 0.300107 0.000000 Ge\n0.162518 0.800107 0.000000 Ge\n0.837482 0.199893 0.000000 Ge\n0.300107 0.662518 0.000000 Ge\n0.699893 0.337482 0.000000 Ge\n0.199893 0.162518 0.000000 Ge\n0.800107 0.837482 0.000000 Ge\n0.656897 0.508600 0.500000 Ge\n0.343103 0.491400 0.500000 Ge\n0.156897 0.991400 0.500000 Ge\n0.843103 0.008600 0.500000 Ge\n0.491400 0.656897 0.500000 Ge\n0.508600 0.343103 0.500000 Ge\n0.008600 0.156897 0.500000 Ge\n0.991400 0.843103 0.500000 Ge\n0.746182 0.520952 0.000000 Ir\n0.253818 0.479048 0.000000 Ir\n0.246182 0.979048 0.000000 Ir\n0.753818 0.020952 0.000000 Ir\n0.479048 0.746182 0.000000 Ir\n0.520952 0.253818 0.000000 Ir\n0.020952 0.246182 0.000000 Ir\n0.979048 0.753818 0.000000 Ir\n",
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},
{
"id": "mp-1197302",
"created_at": "2022-09-04T14:42:48.237049Z",
"structure_string": "Cu4 H72 C24 Se8 Cl16\n1.0\n12.433919 0.000000 0.000000\n0.000000 9.817155 0.000000\n-4.863926 0.000000 15.178931\nCu H C Se Cl\n4 72 24 8 16\ndirect\n0.251042 0.826288 0.391519 Cu\n0.748958 0.326288 0.108481 Cu\n0.748958 0.173712 0.608481 Cu\n0.251042 0.673712 0.891519 Cu\n0.863574 0.939112 0.177311 H\n0.136426 0.439112 0.322689 H\n0.136426 0.060888 0.822689 H\n0.863574 0.560888 0.677311 H\n0.871704 0.753863 0.191312 H\n0.128296 0.253863 0.308688 H\n0.128296 0.246137 0.808688 H\n0.871704 0.746137 0.691312 H\n0.985635 0.861525 0.255775 H\n0.014365 0.361525 0.244225 H\n0.014365 0.138475 0.744225 H\n0.985635 0.638475 0.755775 H\n0.896682 0.798415 0.944570 H\n0.103318 0.298415 0.555430 H\n0.103318 0.201585 0.055430 H\n0.896682 0.701585 0.444570 H\n0.809457 0.896911 0.994385 H\n0.190543 0.396911 0.505615 H\n0.190543 0.103089 0.005615 H\n0.809457 0.603089 0.494385 H\n0.821504 0.712999 0.011193 H\n0.178496 0.212999 0.488807 H\n0.178496 0.287001 0.988807 H\n0.821504 0.787001 0.511193 H\n0.583375 0.688010 0.827677 H\n0.416625 0.188010 0.672323 H\n0.416625 0.311990 0.172323 H\n0.583375 0.811990 0.327677 H\n0.695719 0.749680 0.787243 H\n0.304281 0.249680 0.712757 H\n0.304281 0.250320 0.212757 H\n0.695719 0.750320 0.287243 H\n0.636911 0.581038 0.756413 H\n0.363089 0.081038 0.743587 H\n0.363089 0.418962 0.243587 H\n0.636911 0.918962 0.256413 H\n0.094791 0.640676 0.071917 H\n0.905209 0.140676 0.428083 H\n0.905209 0.359324 0.928083 H\n0.094791 0.859324 0.571917 H\n0.121484 0.664536 0.189037 H\n0.878516 0.164536 0.310963 H\n0.878516 0.335464 0.810963 H\n0.121484 0.835464 0.689037 H\n0.988025 0.590386 0.123393 H\n0.011975 0.090386 0.376607 H\n0.011975 0.409614 0.876607 H\n0.988025 0.909614 0.623393 H\n0.645476 0.807112 0.588446 H\n0.354524 0.307112 0.911554 H\n0.354524 0.192888 0.411554 H\n0.645476 0.692888 0.088446 H\n0.613701 0.625530 0.592233 H\n0.386299 0.125530 0.907767 H\n0.386299 0.374470 0.407767 H\n0.613701 0.874470 0.092233 H\n0.513254 0.739597 0.518347 H\n0.486746 0.239597 0.981653 H\n0.486746 0.260403 0.481653 H\n0.513254 0.760403 0.018347 H\n0.362058 0.620360 0.700466 H\n0.637942 0.120360 0.799534 H\n0.637942 0.379640 0.299534 H\n0.362058 0.879640 0.200466 H\n0.438780 0.531405 0.635855 H\n0.561220 0.031405 0.864145 H\n0.561220 0.468595 0.364145 H\n0.438780 0.968595 0.135855 H\n0.332198 0.658348 0.584296 H\n0.667802 0.158348 0.915704 H\n0.667802 0.341652 0.415704 H\n0.332198 0.841652 0.084296 H\n0.579978 0.729554 0.581702 C\n0.420022 0.229554 0.918298 C\n0.420022 0.270446 0.418298 C\n0.579978 0.770446 0.081702 C\n0.918370 0.849209 0.193081 C\n0.081630 0.349209 0.306919 C\n0.081630 0.150791 0.806919 C\n0.918370 0.650791 0.693081 C\n0.863514 0.806960 0.000701 C\n0.136486 0.306960 0.499299 C\n0.136486 0.193040 0.999299 C\n0.863514 0.693040 0.500701 C\n0.620168 0.685510 0.773325 C\n0.379832 0.185510 0.726675 C\n0.379832 0.314490 0.226675 C\n0.620168 0.814490 0.273325 C\n0.056747 0.660909 0.124392 C\n0.943253 0.160909 0.375608 C\n0.943253 0.339091 0.875608 C\n0.056747 0.839091 0.624392 C\n0.396679 0.625924 0.644914 C\n0.603321 0.125924 0.855086 C\n0.603321 0.374076 0.355086 C\n0.396679 0.874076 0.144914 C\n0.994869 0.844841 0.102745 Se\n0.005131 0.344841 0.397255 Se\n0.005131 0.155159 0.897255 Se\n0.994869 0.655159 0.602745 Se\n0.508890 0.771006 0.672493 Se\n0.491110 0.271006 0.827507 Se\n0.491110 0.228994 0.327507 Se\n0.508890 0.728994 0.172493 Se\n0.221913 0.992005 0.286016 Cl\n0.778087 0.492005 0.213984 Cl\n0.778087 0.007995 0.713984 Cl\n0.221913 0.507995 0.786016 Cl\n0.350322 0.671898 0.337158 Cl\n0.649678 0.171898 0.162842 Cl\n0.649678 0.328102 0.662842 Cl\n0.350322 0.828102 0.837158 Cl\n0.293343 0.958483 0.513092 Cl\n0.706657 0.458483 0.986908 Cl\n0.706657 0.041517 0.486908 Cl\n0.293343 0.541517 0.013092 Cl\n0.126585 0.681546 0.426948 Cl\n0.873415 0.181546 0.073052 Cl\n0.873415 0.318454 0.573052 Cl\n0.126585 0.818454 0.926948 Cl\n",
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"formula_full": "Cu4 H72 C24 Se8 Cl16",
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{
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