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{
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"structure_string": "Cs4 Mn2 Sn2 Te8\n1.0\n0.000000 7.845293 13.134420\n3.404676 0.000000 13.134420\n3.404676 7.845293 0.000000\nCs Mn Sn Te\n4 2 2 8\ndirect\n0.815729 0.815729 0.184271 Cs\n0.184271 0.184271 0.815729 Cs\n0.434271 0.434271 0.065729 Cs\n0.065729 0.065729 0.434271 Cs\n0.750000 0.750000 0.750000 Mn\n0.500000 0.500000 0.500000 Mn\n0.250000 0.250000 0.250000 Sn\n0.000000 0.000000 0.000000 Sn\n0.410292 0.709707 0.785405 Te\n0.094596 0.785405 0.709707 Te\n0.785405 0.094596 0.410292 Te\n0.709707 0.410292 0.094596 Te\n0.839708 0.540293 0.464595 Te\n0.155404 0.464595 0.540293 Te\n0.464595 0.155404 0.839708 Te\n0.540293 0.839708 0.155404 Te\n",
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{
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{
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"structure_string": "Y8 Cl4 O16\n1.0\n6.164876 0.000000 0.000000\n0.000000 14.440840 0.000000\n0.000000 0.000000 15.617962\nY Cl O\n8 4 16\ndirect\n0.500000 0.857320 0.040010 Y\n0.500000 0.857320 0.459990 Y\n0.500000 0.142680 0.540010 Y\n0.500000 0.142680 0.959990 Y\n0.500000 0.361244 0.555547 Y\n0.500000 0.361244 0.944453 Y\n0.500000 0.638756 0.055547 Y\n0.500000 0.638756 0.444453 Y\n0.500000 0.968388 0.607767 Cl\n0.500000 0.968388 0.892233 Cl\n0.500000 0.031612 0.107767 Cl\n0.500000 0.031612 0.392233 Cl\n0.500000 0.548250 0.209865 O\n0.500000 0.548250 0.290135 O\n0.500000 0.451750 0.709865 O\n0.500000 0.451750 0.790135 O\n0.500000 0.259294 0.463350 O\n0.500000 0.259294 0.036650 O\n0.500000 0.740706 0.963350 O\n0.500000 0.740706 0.536650 O\n0.500000 0.519288 0.544698 O\n0.500000 0.519288 0.955302 O\n0.500000 0.480712 0.044698 O\n0.500000 0.480712 0.455302 O\n0.500000 0.757688 0.133906 O\n0.500000 0.757688 0.366094 O\n0.500000 0.242312 0.633906 O\n0.500000 0.242312 0.866094 O\n",
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{
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"created_at": "2022-09-04T14:48:30.904837Z",
"structure_string": "Li6 Cr6 P6 O24\n1.0\n5.144542 -7.024200 0.000000\n5.144542 7.024200 0.000000\n-4.446084 0.000000 7.485855\nLi Cr P O\n6 6 6 24\ndirect\n0.927204 0.146603 0.333949 Li\n0.854351 0.617101 0.449370 Li\n0.617101 0.449370 0.854351 Li\n0.146603 0.333949 0.927204 Li\n0.449370 0.854351 0.617101 Li\n0.333949 0.927204 0.146603 Li\n0.769728 0.184332 0.952514 Cr\n0.658115 0.263288 0.496821 Cr\n0.952514 0.769728 0.184332 Cr\n0.496821 0.658115 0.263288 Cr\n0.263288 0.496821 0.658115 Cr\n0.184332 0.952514 0.769728 Cr\n0.825183 0.004305 0.597285 P\n0.510718 0.298435 0.113686 P\n0.298435 0.113687 0.510718 P\n0.597285 0.825183 0.004305 P\n0.113686 0.510718 0.298435 P\n0.004305 0.597285 0.825183 P\n0.735810 0.021321 0.079542 O\n0.808662 0.123671 0.497012 O\n0.704923 0.006840 0.698107 O\n0.020489 0.637718 0.328372 O\n0.808746 0.458972 0.759889 O\n0.637718 0.328372 0.020489 O\n0.398325 0.071481 0.393234 O\n0.629045 0.387071 0.320360 O\n0.389986 0.097314 0.042438 O\n0.097314 0.042438 0.389986 O\n0.387071 0.320360 0.629045 O\n0.698107 0.704923 0.006840 O\n0.393234 0.398325 0.071481 O\n0.759889 0.808746 0.458972 O\n0.021321 0.079542 0.735810 O\n0.458972 0.759889 0.808746 O\n0.071481 0.393234 0.398325 O\n0.497012 0.808662 0.123671 O\n0.042438 0.389986 0.097314 O\n0.320360 0.629045 0.387071 O\n0.123671 0.497012 0.808662 O\n0.079542 0.735810 0.021321 O\n0.328372 0.020489 0.637718 O\n0.006840 0.698107 0.704923 O\n",
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"formula_full": "Li6 Cr6 P6 O24",
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"spacegroup": 146
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{
"id": "mp-600233",
"created_at": "2022-09-04T14:48:30.903690Z",
"structure_string": "Co4 H56 C12 N4 Cl12 O8\n1.0\n7.281171 0.000000 0.000000\n0.000000 8.245992 0.000000\n0.000000 0.000000 16.876708\nCo H C N Cl O\n4 56 12 4 12 8\ndirect\n0.500000 0.000000 0.000000 Co\n0.000000 0.000000 0.000000 Co\n0.500000 0.500000 0.500000 Co\n0.000000 0.500000 0.500000 Co\n0.074075 0.688772 0.961176 H\n0.573913 0.694124 0.715469 H\n0.461912 0.788502 0.310607 H\n0.750000 0.744534 0.371214 H\n0.750000 0.755466 0.871214 H\n0.461912 0.711498 0.810607 H\n0.925925 0.311228 0.038824 H\n0.873859 0.491095 0.865954 H\n0.926087 0.805876 0.215469 H\n0.538088 0.288502 0.189393 H\n0.250000 0.543777 0.224962 H\n0.126141 0.991095 0.634046 H\n0.038088 0.711498 0.810607 H\n0.079727 0.117285 0.230363 H\n0.373859 0.991095 0.634046 H\n0.574075 0.188772 0.538824 H\n0.961912 0.288502 0.189393 H\n0.425925 0.811228 0.461176 H\n0.574075 0.311228 0.038824 H\n0.073913 0.305876 0.284531 H\n0.038088 0.788502 0.310607 H\n0.100557 0.314107 0.983772 H\n0.920273 0.617285 0.269637 H\n0.626141 0.008905 0.365954 H\n0.750000 0.456223 0.775038 H\n0.961912 0.211498 0.689393 H\n0.750000 0.043777 0.275038 H\n0.538088 0.211498 0.689393 H\n0.250000 0.255466 0.628786 H\n0.579727 0.882715 0.769637 H\n0.079727 0.382715 0.730363 H\n0.579727 0.617285 0.269637 H\n0.626141 0.491095 0.865954 H\n0.925925 0.188772 0.538824 H\n0.074075 0.811228 0.461176 H\n0.926087 0.694124 0.715469 H\n0.425925 0.688772 0.961176 H\n0.073913 0.194124 0.784531 H\n0.250000 0.956223 0.724962 H\n0.899443 0.814107 0.516228 H\n0.420273 0.117285 0.230363 H\n0.100557 0.185893 0.483772 H\n0.600557 0.814107 0.516228 H\n0.920273 0.882715 0.769637 H\n0.250000 0.244534 0.128786 H\n0.873859 0.008905 0.365954 H\n0.600557 0.685893 0.016228 H\n0.426087 0.194124 0.784531 H\n0.399443 0.185893 0.483772 H\n0.899443 0.685893 0.016228 H\n0.126141 0.508905 0.134046 H\n0.373859 0.508905 0.134046 H\n0.573913 0.805876 0.215469 H\n0.426087 0.305876 0.284531 H\n0.420273 0.382715 0.730363 H\n0.399443 0.314107 0.983772 H\n0.421465 0.250502 0.725565 C\n0.921465 0.749498 0.274435 C\n0.750000 0.520414 0.831958 C\n0.921465 0.750502 0.774435 C\n0.250000 0.020414 0.668042 C\n0.250000 0.479586 0.168042 C\n0.421465 0.249498 0.225565 C\n0.578535 0.749498 0.274435 C\n0.750000 0.979586 0.331958 C\n0.578535 0.750502 0.774435 C\n0.078535 0.250502 0.725565 C\n0.078535 0.249498 0.225565 C\n0.250000 0.198632 0.683873 N\n0.750000 0.801368 0.316127 N\n0.750000 0.698632 0.816127 N\n0.250000 0.301368 0.183873 N\n0.250000 0.002041 0.418162 Cl\n0.750000 0.502041 0.081838 Cl\n0.750000 0.435285 0.404820 Cl\n0.750000 0.064715 0.904820 Cl\n0.250000 0.494391 0.403080 Cl\n0.250000 0.935285 0.095180 Cl\n0.250000 0.564715 0.595180 Cl\n0.750000 0.505609 0.596920 Cl\n0.250000 0.005609 0.903080 Cl\n0.750000 0.994391 0.096920 Cl\n0.750000 0.997959 0.581838 Cl\n0.250000 0.497959 0.918162 Cl\n0.537652 0.748498 0.475072 O\n0.962348 0.751502 0.975072 O\n0.037652 0.248498 0.024928 O\n0.037652 0.251502 0.524928 O\n0.537652 0.751502 0.975072 O\n0.462348 0.248498 0.024928 O\n0.962348 0.748498 0.475072 O\n0.462348 0.251502 0.524928 O\n",
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{
"id": "mp-686599",
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"structure_string": "Sr2 Nd20 Se24 Cl16 O72\n1.0\n15.646842 0.000000 0.000000\n0.000000 13.411957 0.000000\n0.000000 3.666137 13.051585\nSr Nd Se Cl O\n2 20 24 16 72\ndirect\n0.601558 0.022808 0.833529 Sr\n0.398442 0.522808 0.333529 Sr\n0.008844 0.012808 0.497274 Nd\n0.247375 0.049143 0.463344 Nd\n0.754279 0.250586 0.251163 Nd\n0.410156 0.254924 0.248166 Nd\n0.072426 0.256199 0.235383 Nd\n0.110986 0.195199 0.993964 Nd\n0.109890 0.315427 0.506342 Nd\n0.234338 0.465599 0.001087 Nd\n0.617217 0.474815 0.695639 Nd\n0.991156 0.512808 0.997274 Nd\n0.499675 0.500868 0.981313 Nd\n0.752625 0.549143 0.963344 Nd\n0.889014 0.695199 0.493964 Nd\n0.890110 0.815427 0.006342 Nd\n0.927574 0.756199 0.735383 Nd\n0.589844 0.754924 0.748166 Nd\n0.245721 0.750586 0.751163 Nd\n0.382783 0.974815 0.195639 Nd\n0.765662 0.965599 0.501087 Nd\n0.500325 0.000868 0.481313 Nd\n0.662340 0.986974 0.282902 Se\n0.935994 0.078614 0.209364 Se\n0.234129 0.052126 0.717983 Se\n0.862345 0.297963 0.965892 Se\n0.548421 0.209092 0.085077 Se\n0.704240 0.203236 0.636144 Se\n0.559983 0.289503 0.413770 Se\n0.830718 0.191772 0.526719 Se\n0.728818 0.260782 0.940946 Se\n0.944412 0.423663 0.294266 Se\n0.633780 0.504485 0.192264 Se\n0.765871 0.552126 0.217983 Se\n0.227178 0.359913 0.773623 Se\n0.337660 0.486974 0.782902 Se\n0.064006 0.578614 0.709364 Se\n0.295760 0.703236 0.136144 Se\n0.137655 0.797963 0.465892 Se\n0.451579 0.709092 0.585077 Se\n0.271182 0.760782 0.440946 Se\n0.440017 0.789503 0.913770 Se\n0.169282 0.691772 0.026719 Se\n0.772822 0.859913 0.273623 Se\n0.055588 0.923663 0.794266 Se\n0.366220 0.004485 0.692264 Se\n0.501828 0.972232 0.037480 Cl\n0.749104 0.944614 0.956945 Cl\n0.003792 0.969918 0.022179 Cl\n0.776893 0.336125 0.694408 Cl\n0.318493 0.234482 0.786666 Cl\n0.071108 0.217175 0.791364 Cl\n0.563473 0.246574 0.766140 Cl\n0.739655 0.580100 0.540493 Cl\n0.498172 0.472232 0.537480 Cl\n0.996208 0.469918 0.522179 Cl\n0.250896 0.444614 0.456945 Cl\n0.928892 0.717175 0.291364 Cl\n0.681507 0.734482 0.286666 Cl\n0.436527 0.746574 0.266140 Cl\n0.223107 0.836125 0.194408 Cl\n0.260345 0.080100 0.040493 Cl\n0.480960 0.971201 0.319758 O\n0.316695 0.093351 0.289259 O\n0.750231 0.059734 0.301041 O\n0.963444 0.101223 0.325014 O\n0.385473 0.072168 0.563703 O\n0.127466 0.132523 0.377303 O\n0.633783 0.097943 0.571691 O\n0.031118 0.129642 0.145331 O\n0.628987 0.174567 0.173332 O\n0.101155 0.129630 0.578700 O\n0.460387 0.141262 0.150375 O\n0.870413 0.065923 0.570353 O\n0.370176 0.110352 0.375533 O\n0.869775 0.182459 0.160896 O\n0.766627 0.162707 0.433925 O\n0.530070 0.176390 0.382852 O\n0.180701 0.220554 0.393406 O\n0.020132 0.175704 0.532202 O\n0.034769 0.331970 0.024289 O\n0.192226 0.265745 0.114892 O\n0.516957 0.328665 0.103509 O\n0.793973 0.403989 0.115173 O\n0.872338 0.324789 0.330020 O\n0.345642 0.386429 0.115348 O\n0.478407 0.365467 0.340957 O\n0.646236 0.328708 0.335401 O\n0.037723 0.358776 0.352516 O\n0.172178 0.361052 0.143954 O\n0.975004 0.411851 0.174110 O\n0.706576 0.383997 0.099554 O\n0.870093 0.433072 0.923345 O\n0.325368 0.407833 0.209547 O\n0.099838 0.390818 0.949569 O\n0.432409 0.556188 0.137764 O\n0.588843 0.413200 0.881739 O\n0.614527 0.572168 0.063703 O\n0.365657 0.442396 0.911809 O\n0.366217 0.597943 0.071691 O\n0.519040 0.471201 0.819758 O\n0.898845 0.629630 0.078700 O\n0.683305 0.593351 0.789259 O\n0.129587 0.565923 0.070353 O\n0.249769 0.559734 0.801041 O\n0.036556 0.601223 0.825014 O\n0.872534 0.632523 0.877303 O\n0.968882 0.629642 0.645331 O\n0.371013 0.674567 0.673332 O\n0.539613 0.641262 0.650375 O\n0.629824 0.610352 0.875533 O\n0.130225 0.682459 0.660896 O\n0.233373 0.662707 0.933925 O\n0.469930 0.676390 0.882852 O\n0.819299 0.720554 0.893406 O\n0.979868 0.675704 0.032202 O\n0.965231 0.831970 0.524289 O\n0.807774 0.765745 0.614892 O\n0.483043 0.828665 0.603509 O\n0.206027 0.903989 0.615173 O\n0.127662 0.824789 0.830020 O\n0.654358 0.886429 0.615348 O\n0.129907 0.933072 0.423345 O\n0.521593 0.865467 0.840957 O\n0.900162 0.890818 0.449569 O\n0.353764 0.828708 0.835401 O\n0.962277 0.858776 0.852516 O\n0.411157 0.913200 0.381739 O\n0.827822 0.861052 0.643954 O\n0.634343 0.942396 0.411809 O\n0.024996 0.911851 0.674110 O\n0.293424 0.883997 0.599554 O\n0.674632 0.907833 0.709547 O\n0.567591 0.056188 0.637764 O\n",
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