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{
"id": "mp-704101",
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"structure_string": "Mn16 C60 S16 O60\n1.0\n15.693284 0.000000 0.000000\n0.000000 9.421961 0.000000\n0.000000 1.899091 18.325886\nMn C S O\n16 60 16 60\ndirect\n0.612112 0.772418 0.882738 Mn\n0.387888 0.227582 0.117262 Mn\n0.112112 0.227582 0.617262 Mn\n0.555033 0.955593 0.258068 Mn\n0.528641 0.269390 0.391085 Mn\n0.141939 0.703757 0.309564 Mn\n0.055033 0.044407 0.241932 Mn\n0.887888 0.772418 0.382738 Mn\n0.358061 0.703757 0.809564 Mn\n0.971359 0.269390 0.891085 Mn\n0.444967 0.044407 0.741932 Mn\n0.471359 0.730610 0.608915 Mn\n0.944967 0.955593 0.758068 Mn\n0.641939 0.296243 0.190436 Mn\n0.858061 0.296243 0.690436 Mn\n0.028641 0.730610 0.108915 Mn\n0.883077 0.441674 0.620887 C\n0.200126 0.788322 0.379695 C\n0.052672 0.886732 0.773694 C\n0.028184 0.431370 0.910845 C\n0.028605 0.228294 0.543419 C\n0.598600 0.572021 0.881192 C\n0.265787 0.604674 0.781574 C\n0.318320 0.224534 0.201154 C\n0.116923 0.558326 0.379113 C\n0.137095 0.647224 0.102604 C\n0.906991 0.783313 0.798998 C\n0.093009 0.216687 0.201002 C\n0.098600 0.427979 0.618808 C\n0.862905 0.352776 0.897396 C\n0.702753 0.739686 0.946972 C\n0.471395 0.228294 0.043419 C\n0.872005 0.971161 0.386654 C\n0.406991 0.216687 0.701002 C\n0.035921 0.799283 0.012235 C\n0.971395 0.771706 0.456581 C\n0.700126 0.211678 0.120305 C\n0.627995 0.971161 0.886654 C\n0.535921 0.200717 0.487765 C\n0.447328 0.886732 0.273694 C\n0.073684 0.097904 0.332808 C\n0.076065 0.174621 0.885230 C\n0.799874 0.211678 0.620305 C\n0.528184 0.568630 0.589155 C\n0.528605 0.771706 0.956581 C\n0.616923 0.441674 0.120887 C\n0.765787 0.395326 0.718426 C\n0.202753 0.260314 0.553028 C\n0.372005 0.028839 0.113346 C\n0.299874 0.788322 0.879695 C\n0.401400 0.427979 0.118808 C\n0.797247 0.739686 0.446972 C\n0.423935 0.174621 0.385230 C\n0.971816 0.568630 0.089155 C\n0.964079 0.200717 0.987765 C\n0.926316 0.902096 0.667192 C\n0.181680 0.224534 0.701154 C\n0.734213 0.395326 0.218426 C\n0.426316 0.097904 0.832808 C\n0.681680 0.775466 0.798846 C\n0.127995 0.028839 0.613346 C\n0.471816 0.431370 0.410845 C\n0.637095 0.352776 0.397396 C\n0.297247 0.260314 0.053028 C\n0.383077 0.558326 0.879113 C\n0.923935 0.825379 0.114770 C\n0.947328 0.113268 0.226306 C\n0.362905 0.647224 0.602604 C\n0.573684 0.902096 0.167192 C\n0.818320 0.775466 0.298846 C\n0.593009 0.783313 0.298998 C\n0.901400 0.572021 0.381192 C\n0.576065 0.825379 0.614770 C\n0.234213 0.604674 0.281574 C\n0.552672 0.113268 0.726306 C\n0.464079 0.799283 0.512235 C\n0.474739 0.646536 0.735543 S\n0.007465 0.816709 0.299070 S\n0.025261 0.646536 0.235543 S\n0.819399 0.092077 0.773806 S\n0.507465 0.183291 0.200930 S\n0.180601 0.907923 0.226194 S\n0.492535 0.816709 0.799070 S\n0.525261 0.353464 0.264457 S\n0.974739 0.353464 0.764457 S\n0.992535 0.183291 0.700930 S\n0.319399 0.907923 0.726194 S\n0.680601 0.092077 0.273806 S\n0.401692 0.943260 0.637372 S\n0.901692 0.056740 0.862628 S\n0.098308 0.943260 0.137372 S\n0.598308 0.056740 0.362628 S\n0.959532 0.154752 0.048538 O\n0.796020 0.401509 0.904262 O\n0.613014 0.670543 0.325596 O\n0.409920 0.132323 0.890291 O\n0.525918 0.227473 0.001521 O\n0.909920 0.867677 0.609709 O\n0.906709 0.449921 0.381989 O\n0.641099 0.883333 0.614454 O\n0.264483 0.837355 0.926744 O\n0.566580 0.469153 0.575829 O\n0.358901 0.116667 0.385546 O\n0.379350 0.840095 0.285235 O\n0.277897 0.225362 0.253305 O\n0.222103 0.225362 0.753305 O\n0.759938 0.719650 0.986217 O\n0.974082 0.227473 0.501521 O\n0.296020 0.598491 0.595738 O\n0.386986 0.329457 0.674404 O\n0.722103 0.774638 0.746695 O\n0.764483 0.162645 0.573256 O\n0.040468 0.845248 0.951462 O\n0.459532 0.845248 0.451462 O\n0.707138 0.460589 0.734858 O\n0.620650 0.159905 0.714765 O\n0.792862 0.460589 0.234858 O\n0.093291 0.550079 0.618011 O\n0.105090 0.467423 0.426083 O\n0.406709 0.550079 0.118011 O\n0.292862 0.539411 0.265142 O\n0.894910 0.532577 0.573917 O\n0.359895 0.910019 0.107069 O\n0.777897 0.774638 0.246695 O\n0.141099 0.116667 0.885546 O\n0.590080 0.867677 0.109709 O\n0.066580 0.530847 0.924171 O\n0.640105 0.089981 0.892931 O\n0.259938 0.280350 0.513783 O\n0.474082 0.772527 0.998479 O\n0.433420 0.530847 0.424171 O\n0.113014 0.329457 0.174404 O\n0.879350 0.159905 0.214765 O\n0.240062 0.280350 0.013783 O\n0.203980 0.598491 0.095738 O\n0.886986 0.670543 0.825596 O\n0.859895 0.089981 0.392931 O\n0.933420 0.469153 0.075829 O\n0.090080 0.132323 0.390291 O\n0.703980 0.401509 0.404262 O\n0.540468 0.154752 0.548538 O\n0.735517 0.162645 0.073256 O\n0.394910 0.467423 0.926083 O\n0.140105 0.910019 0.607069 O\n0.207138 0.539411 0.765142 O\n0.235517 0.837355 0.426744 O\n0.025918 0.772527 0.498479 O\n0.593291 0.449921 0.881989 O\n0.740062 0.719650 0.486217 O\n0.120650 0.840095 0.785235 O\n0.605090 0.532577 0.073917 O\n0.858901 0.883333 0.114454 O\n",
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"formula_full": "Mn16 C60 S16 O60",
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"spacegroup": 14
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{
"id": "mp-531963",
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"structure_string": "Ce14 Y18 O55\n1.0\n9.400421 0.000000 0.000000\n-3.144458 8.867373 0.000000\n-0.066871 -0.028596 15.331494\nCe Y O\n14 18 55\ndirect\n0.873692 0.152596 0.129642 Ce\n0.384636 0.626217 0.870818 Ce\n0.114390 0.871905 0.635390 Ce\n0.020032 0.494871 0.756001 Ce\n0.892993 0.134450 0.613793 Ce\n0.748185 0.745507 0.499896 Ce\n0.019147 0.513023 0.507566 Ce\n0.118034 0.874061 0.876606 Ce\n0.630586 0.356502 0.613630 Ce\n0.255644 0.255505 0.001900 Ce\n0.401241 0.636674 0.118552 Ce\n0.508709 0.007433 0.999948 Ce\n0.589414 0.360538 0.372889 Ce\n0.136842 0.863592 0.117214 Ce\n0.744557 0.745194 0.752550 Y\n0.882966 0.137199 0.888592 Y\n0.381920 0.659248 0.627709 Y\n0.525159 0.003994 0.496279 Y\n0.235817 0.243511 0.251622 Y\n0.378918 0.641240 0.388764 Y\n0.604434 0.350849 0.872590 Y\n0.478169 0.005034 0.747992 Y\n0.746001 0.760384 0.985547 Y\n0.023037 0.503827 0.000400 Y\n0.235814 0.240161 0.760349 Y\n0.107584 0.847007 0.371237 Y\n0.984232 0.512640 0.237139 Y\n0.233087 0.262176 0.481644 Y\n0.882760 0.097271 0.368730 Y\n0.731887 0.727309 0.260176 Y\n0.607482 0.363032 0.139245 Y\n0.525672 0.995957 0.255671 Y\n0.863202 0.397551 0.876213 O\n0.519860 0.780697 0.747472 O\n0.628488 0.111797 0.868956 O\n0.639718 0.602483 0.872726 O\n0.622258 0.585203 0.632378 O\n0.500289 0.269882 0.736699 O\n0.357820 0.900321 0.612771 O\n0.468919 0.240069 0.503713 O\n0.364050 0.893151 0.378117 O\n0.255999 0.998874 0.001439 O\n0.002073 0.280546 0.255214 O\n0.108742 0.596205 0.369703 O\n0.232551 0.994936 0.754092 O\n0.506264 0.762247 0.993366 O\n0.366681 0.366613 0.877628 O\n0.142381 0.135467 0.609586 O\n0.019145 0.765714 0.505281 O\n0.135526 0.095947 0.371427 O\n0.109170 0.089359 0.137989 O\n0.264220 0.493511 0.742548 O\n0.261556 0.501859 0.515431 O\n0.001971 0.769460 0.236136 O\n0.365707 0.876508 0.875115 O\n0.125406 0.121349 0.884495 O\n0.859336 0.397538 0.111827 O\n0.983175 0.744288 0.004531 O\n0.014256 0.261728 0.007005 O\n0.139339 0.623539 0.873697 O\n0.130105 0.634182 0.632602 O\n0.763094 0.475815 0.488251 O\n0.985210 0.229826 0.751367 O\n0.741422 0.479616 0.264987 O\n0.860714 0.893092 0.862748 O\n0.868664 0.888909 0.638727 O\n0.864263 0.849532 0.378150 O\n0.990638 0.269202 0.484019 O\n0.652523 0.631701 0.115323 O\n0.513855 0.264125 0.003709 O\n0.768511 0.997748 0.498075 O\n0.765175 0.982702 0.240112 O\n0.877569 0.389756 0.633954 O\n0.978208 0.720020 0.755242 O\n0.766886 0.001612 0.014959 O\n0.614190 0.614182 0.386006 O\n0.647789 0.118740 0.629850 O\n0.514272 0.761858 0.506550 O\n0.656704 0.148194 0.374524 O\n0.631052 0.129989 0.130163 O\n0.483786 0.725070 0.252404 O\n0.350538 0.392639 0.361223 O\n0.361676 0.388445 0.137853 O\n0.270352 0.508625 0.997135 O\n0.378445 0.888138 0.132292 O\n0.465146 0.214693 0.254656 O\n0.149070 0.618843 0.130483 O\n",
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{
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{
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{
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{
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"structure_string": "K4 Al4 H16\n1.0\n5.828044 0.000000 0.000000\n0.000000 7.370185 0.000000\n0.000000 0.000000 8.851716\nK Al H\n4 4 16\ndirect\n0.750000 0.833073 0.821156 K\n0.250000 0.166927 0.178844 K\n0.250000 0.333073 0.678844 K\n0.750000 0.666927 0.321156 K\n0.250000 0.822056 0.567154 Al\n0.750000 0.177944 0.432846 Al\n0.750000 0.322056 0.932846 Al\n0.250000 0.677944 0.067154 Al\n0.976678 0.191076 0.924587 H\n0.476678 0.808924 0.075413 H\n0.023322 0.691076 0.575413 H\n0.523322 0.308924 0.424587 H\n0.023322 0.808924 0.075413 H\n0.523322 0.191076 0.924587 H\n0.976678 0.308924 0.424587 H\n0.476678 0.691076 0.575413 H\n0.250000 0.955492 0.714449 H\n0.750000 0.044508 0.285551 H\n0.750000 0.455492 0.785551 H\n0.250000 0.544508 0.214449 H\n0.750000 0.436338 0.090193 H\n0.250000 0.563662 0.909807 H\n0.250000 0.936338 0.409807 H\n0.750000 0.063662 0.590193 H\n",
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