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{
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{
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{
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"structure_string": "Tb16 Te12 N8\n1.0\n7.354876 0.000000 0.000000\n0.000000 11.080795 0.000000\n0.000000 0.000000 11.734806\nTb Te N\n16 12 8\ndirect\n0.162814 0.381992 0.653052 Tb\n0.337186 0.381992 0.346948 Tb\n0.162814 0.118008 0.846948 Tb\n0.337186 0.118008 0.153052 Tb\n0.837186 0.618008 0.346948 Tb\n0.662814 0.618008 0.653052 Tb\n0.837186 0.881992 0.153052 Tb\n0.662814 0.881992 0.846948 Tb\n0.475225 0.322791 0.908393 Tb\n0.024775 0.322791 0.091607 Tb\n0.475225 0.177209 0.591607 Tb\n0.024775 0.177209 0.408393 Tb\n0.524775 0.677209 0.091607 Tb\n0.975225 0.677209 0.908393 Tb\n0.524775 0.822791 0.408393 Tb\n0.975225 0.822791 0.591607 Tb\n0.250000 0.890988 0.000000 Te\n0.250000 0.609012 0.500000 Te\n0.750000 0.109012 0.000000 Te\n0.750000 0.390988 0.500000 Te\n0.369326 0.582367 0.838831 Te\n0.130674 0.582367 0.161169 Te\n0.369326 0.917633 0.661169 Te\n0.130674 0.917633 0.338831 Te\n0.630674 0.417633 0.161169 Te\n0.869326 0.417633 0.838831 Te\n0.630674 0.082367 0.338831 Te\n0.869326 0.082367 0.661169 Te\n0.250000 0.225450 0.000000 N\n0.250000 0.274550 0.500000 N\n0.750000 0.774550 0.000000 N\n0.750000 0.725450 0.500000 N\n0.342414 0.250000 0.750000 N\n0.157586 0.250000 0.250000 N\n0.657586 0.750000 0.250000 N\n0.842414 0.750000 0.750000 N\n",
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"formula_full": "Tb16 Te12 N8",
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{
"id": "mp-16402",
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"structure_string": "Tb16 Si12 S48\n1.0\n11.135648 0.000000 0.000000\n0.000000 9.970207 0.000000\n0.000000 6.064169 16.135562\nTb Si S\n16 12 48\ndirect\n0.738102 0.969694 0.209208 Tb\n0.238102 0.030306 0.290792 Tb\n0.261898 0.030306 0.790792 Tb\n0.761898 0.969694 0.709208 Tb\n0.127690 0.607375 0.365385 Tb\n0.627690 0.392625 0.134615 Tb\n0.872310 0.392625 0.634615 Tb\n0.372310 0.607375 0.865385 Tb\n0.850286 0.185684 0.440599 Tb\n0.350286 0.814316 0.059401 Tb\n0.149714 0.814316 0.559401 Tb\n0.649714 0.185684 0.940599 Tb\n0.518862 0.517016 0.374408 Tb\n0.018862 0.482984 0.125592 Tb\n0.481138 0.482984 0.625592 Tb\n0.981138 0.517016 0.874408 Tb\n0.786358 0.525346 0.266765 Si\n0.286358 0.474654 0.233235 Si\n0.213642 0.474654 0.733235 Si\n0.713642 0.525346 0.766765 Si\n0.619710 0.244091 0.559174 Si\n0.119710 0.755909 0.940826 Si\n0.380290 0.755909 0.440826 Si\n0.880290 0.244091 0.059174 Si\n0.951669 0.900234 0.380923 Si\n0.451669 0.099766 0.119077 Si\n0.048331 0.099766 0.619077 Si\n0.548331 0.900234 0.880923 Si\n0.958402 0.435451 0.313383 S\n0.458402 0.564549 0.186617 S\n0.041598 0.564549 0.686617 S\n0.541598 0.435451 0.813383 S\n0.444942 0.316941 0.526049 S\n0.944942 0.683059 0.973951 S\n0.555058 0.683059 0.473951 S\n0.055058 0.316941 0.026049 S\n0.775087 0.978863 0.371007 S\n0.275087 0.021137 0.128993 S\n0.224913 0.021137 0.628993 S\n0.724913 0.978863 0.871007 S\n0.020809 0.305230 0.526639 S\n0.520809 0.694770 0.973361 S\n0.979191 0.694770 0.473361 S\n0.479191 0.305230 0.026639 S\n0.027682 0.883103 0.270111 S\n0.527682 0.116897 0.229889 S\n0.972318 0.116897 0.729889 S\n0.472318 0.883103 0.770111 S\n0.065205 0.054085 0.407113 S\n0.565205 0.945915 0.092887 S\n0.934795 0.945915 0.592887 S\n0.434795 0.054085 0.907113 S\n0.658677 0.043866 0.551243 S\n0.158677 0.956134 0.948757 S\n0.341323 0.956134 0.448757 S\n0.841323 0.043866 0.051243 S\n0.741115 0.404519 0.486107 S\n0.241115 0.595481 0.013893 S\n0.258885 0.595481 0.513893 S\n0.758885 0.404519 0.986107 S\n0.666923 0.343516 0.313054 S\n0.166923 0.656484 0.186946 S\n0.333077 0.656484 0.686946 S\n0.833077 0.343516 0.813054 S\n0.289894 0.396055 0.364068 S\n0.789894 0.603945 0.135932 S\n0.710106 0.603945 0.635932 S\n0.210106 0.396055 0.864068 S\n0.348061 0.765376 0.316290 S\n0.848061 0.234624 0.183710 S\n0.651939 0.234624 0.683710 S\n0.151939 0.765376 0.816290 S\n0.722159 0.688393 0.308336 S\n0.222159 0.311607 0.191664 S\n0.277841 0.311607 0.691664 S\n0.777841 0.688393 0.808336 S\n",
"nsites": 76,
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"elements": [
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"volume": 1791.4461827276486,
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"formula_full": "Tb16 Si12 S48",
"formula_reduced": "Tb4(SiS4)3",
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"spacegroup": 14
},
{
"id": "mp-30283",
"created_at": "2022-09-04T14:46:59.975747Z",
"structure_string": "Tb8 Si2 Br12\n1.0\n4.079184 0.000000 0.000000\n0.000000 13.312560 0.000000\n0.000000 0.000000 14.082909\nTb Si Br\n8 2 12\ndirect\n0.500000 0.118392 0.340897 Tb\n0.500000 0.881608 0.659103 Tb\n0.500000 0.618392 0.159103 Tb\n0.500000 0.381608 0.840897 Tb\n0.000000 0.117998 0.578199 Tb\n0.000000 0.882002 0.421801 Tb\n0.000000 0.617998 0.921801 Tb\n0.000000 0.382002 0.078199 Tb\n0.500000 0.000000 0.500000 Si\n0.500000 0.500000 0.000000 Si\n0.500000 0.243705 0.162313 Br\n0.500000 0.756295 0.837687 Br\n0.500000 0.743705 0.337687 Br\n0.500000 0.256295 0.662313 Br\n0.000000 0.255079 0.411437 Br\n0.000000 0.744921 0.588563 Br\n0.000000 0.755079 0.088563 Br\n0.000000 0.244921 0.911437 Br\n0.000000 0.001537 0.243480 Br\n0.000000 0.998463 0.756520 Br\n0.000000 0.501537 0.256520 Br\n0.000000 0.498463 0.743480 Br\n",
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"volume": 764.7636665011569,
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"formula_full": "Tb8 Si2 Br12",
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{
"id": "mp-1217637",
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"structure_string": "Tb4 Si7\n1.0\n0.000000 0.008712 4.102910\n3.995247 0.000000 0.000000\n0.000000 13.621464 0.026648\nTb Si\n4 7\ndirect\n0.010747 0.750000 0.376378 Tb\n0.517802 0.250000 0.872993 Tb\n0.516201 0.750000 0.121258 Tb\n0.007958 0.250000 0.622528 Tb\n0.513157 0.250000 0.291227 Si\n0.027395 0.750000 0.779298 Si\n0.014485 0.250000 0.207885 Si\n0.509315 0.250000 0.462572 Si\n0.012996 0.750000 0.948791 Si\n0.019640 0.250000 0.038257 Si\n0.508306 0.750000 0.561013 Si\n",
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{
"id": "mp-1217739",
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"structure_string": "Tb8 Si14\n1.0\n3.977435 4.018773 0.000000\n-3.977435 4.018773 0.000000\n0.000000 0.227992 13.991051\nTb Si\n8 14\ndirect\n0.885519 0.379293 0.128314 Tb\n0.620707 0.114481 0.871686 Tb\n0.872589 0.872589 0.626156 Tb\n0.127411 0.127411 0.373844 Tb\n0.379293 0.885519 0.128314 Tb\n0.114481 0.620707 0.871686 Tb\n0.374048 0.374048 0.629683 Tb\n0.625952 0.625952 0.370317 Tb\n0.863096 0.377562 0.712939 Si\n0.622438 0.136904 0.287061 Si\n0.880002 0.880002 0.202079 Si\n0.119998 0.119998 0.797921 Si\n0.377562 0.863096 0.712939 Si\n0.136904 0.622438 0.287061 Si\n0.381470 0.381470 0.184401 Si\n0.618530 0.618530 0.815599 Si\n0.874025 0.374127 0.543981 Si\n0.625873 0.125975 0.456019 Si\n0.857043 0.857043 0.032220 Si\n0.142957 0.142957 0.967780 Si\n0.374127 0.874025 0.543981 Si\n0.125975 0.625873 0.456019 Si\n",
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{
"id": "mp-1217620",
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{
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"structure_string": "Tb16 Si8 S12 O28\n1.0\n-5.886141 5.886141 6.883086\n5.886141 -5.886141 6.883086\n5.886141 5.886141 -6.883086\nTb Si S O\n16 8 12 28\ndirect\n0.922131 0.422131 0.844263 Tb\n0.172131 0.827869 0.000000 Tb\n0.827869 0.172131 0.000000 Tb\n0.577869 0.077869 0.155737 Tb\n0.827869 0.827869 0.655737 Tb\n0.577869 0.422131 0.500000 Tb\n0.922131 0.077869 0.500000 Tb\n0.172131 0.172131 0.344263 Tb\n0.533188 0.297308 0.764120 Tb\n0.533188 0.769067 0.235880 Tb\n0.702692 0.466812 0.235880 Tb\n0.519067 0.783188 0.735880 Tb\n0.047308 0.783188 0.264120 Tb\n0.216812 0.480933 0.264120 Tb\n0.216812 0.952692 0.735880 Tb\n0.230933 0.466812 0.764120 Tb\n0.778710 0.903695 0.124985 Si\n0.778710 0.653725 0.875015 Si\n0.096305 0.221290 0.875015 Si\n0.403725 0.028710 0.375015 Si\n0.653695 0.028710 0.624985 Si\n0.971290 0.596275 0.624985 Si\n0.971290 0.346305 0.375015 Si\n0.346275 0.221290 0.124985 Si\n0.000000 0.000000 0.000000 S\n0.750000 0.250000 0.500000 S\n0.250000 0.750000 0.500000 S\n0.500000 0.500000 0.000000 S\n0.375000 0.478433 0.603433 S\n0.228433 0.125000 0.603433 S\n0.521567 0.625000 0.396567 S\n0.875000 0.771567 0.396567 S\n0.375000 0.771567 0.896567 S\n0.521567 0.125000 0.896567 S\n0.228433 0.625000 0.103433 S\n0.875000 0.478433 0.103433 S\n0.273940 0.273940 0.000000 O\n0.023940 0.523940 0.500000 O\n0.476060 0.976060 0.500000 O\n0.726060 0.726060 0.000000 O\n0.700754 0.468815 0.768060 O\n0.700754 0.932694 0.231940 O\n0.531185 0.299246 0.231940 O\n0.682694 0.950754 0.731940 O\n0.218815 0.950754 0.268060 O\n0.049246 0.317306 0.268060 O\n0.049246 0.781185 0.731940 O\n0.067306 0.299246 0.768060 O\n0.794088 0.558165 0.518390 O\n0.039775 0.275698 0.481610 O\n0.441835 0.205912 0.481610 O\n0.025698 0.044088 0.735924 O\n0.308165 0.289775 0.264076 O\n0.955912 0.974302 0.264076 O\n0.710225 0.691835 0.735924 O\n0.724302 0.960225 0.518390 O\n0.955912 0.691835 0.981610 O\n0.710225 0.974302 0.018390 O\n0.308165 0.044088 0.018390 O\n0.724302 0.205912 0.764076 O\n0.441835 0.960225 0.235924 O\n0.794088 0.275698 0.235924 O\n0.039775 0.558165 0.764076 O\n0.025698 0.289775 0.981610 O\n",
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