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{
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{
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{
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"structure_string": "Na4 Y4 Si8 O24\n1.0\n13.858884 0.000000 0.000000\n0.000000 5.480710 0.000000\n0.000000 2.628036 7.231305\nNa Y Si O\n4 4 8 24\ndirect\n0.230987 0.863081 0.546262 Na\n0.730987 0.136919 0.953738 Na\n0.769013 0.136919 0.453738 Na\n0.269013 0.863081 0.046262 Na\n0.994327 0.983140 0.752146 Y\n0.005673 0.016860 0.247854 Y\n0.494327 0.016860 0.747854 Y\n0.505673 0.983140 0.252146 Y\n0.639613 0.571482 0.144216 Si\n0.137780 0.418278 0.932989 Si\n0.362220 0.418278 0.432989 Si\n0.862220 0.581722 0.067011 Si\n0.637780 0.581722 0.567011 Si\n0.860387 0.571482 0.644216 Si\n0.360387 0.428518 0.855784 Si\n0.139613 0.428518 0.355784 Si\n0.749481 0.683703 0.579935 O\n0.878275 0.618819 0.844623 O\n0.133956 0.732556 0.329130 O\n0.750519 0.683703 0.079935 O\n0.375259 0.715693 0.303877 O\n0.866044 0.267444 0.670870 O\n0.437128 0.200057 0.418004 O\n0.565612 0.788125 0.016459 O\n0.624741 0.284307 0.696123 O\n0.366044 0.732556 0.829130 O\n0.121725 0.381181 0.155377 O\n0.434388 0.211875 0.983541 O\n0.937128 0.799943 0.081996 O\n0.249481 0.316297 0.920065 O\n0.124741 0.715693 0.803877 O\n0.934388 0.788125 0.516459 O\n0.562872 0.799943 0.581996 O\n0.378275 0.381181 0.655377 O\n0.250519 0.316297 0.420065 O\n0.875259 0.284307 0.196123 O\n0.621725 0.618819 0.344623 O\n0.633956 0.267444 0.170870 O\n0.065612 0.211875 0.483541 O\n0.062872 0.200057 0.918004 O\n",
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{
"id": "mp-19056",
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"structure_string": "Ho6 Mn6 O18\n1.0\n3.099124 -5.367841 0.000000\n3.099124 5.367841 0.000000\n0.000000 0.000000 11.539519\nHo Mn O\n6 6 18\ndirect\n0.666667 0.333333 0.230294 Ho\n0.333333 0.666667 0.730294 Ho\n0.666667 0.333333 0.730294 Ho\n0.333333 0.666667 0.230294 Ho\n0.000000 0.000000 0.774017 Ho\n0.000000 0.000000 0.274017 Ho\n0.666533 0.000000 0.499194 Mn\n0.666533 0.666533 0.999194 Mn\n0.000000 0.333467 0.999194 Mn\n0.000000 0.666533 0.499194 Mn\n0.333467 0.333467 0.499194 Mn\n0.333467 0.000000 0.999194 Mn\n0.666667 0.333333 0.020253 O\n0.333333 0.666667 0.520253 O\n0.666667 0.333333 0.520253 O\n0.333333 0.666667 0.020253 O\n0.000000 0.000000 0.974406 O\n0.000000 0.000000 0.474406 O\n0.359234 0.000000 0.834411 O\n0.359234 0.359234 0.334411 O\n0.000000 0.640766 0.334411 O\n0.000000 0.359234 0.834411 O\n0.640766 0.640766 0.834411 O\n0.640766 0.000000 0.334411 O\n0.307030 0.000000 0.164223 O\n0.307030 0.307030 0.664223 O\n0.000000 0.692970 0.664223 O\n0.000000 0.307030 0.164223 O\n0.692970 0.692970 0.164223 O\n0.692970 0.000000 0.664223 O\n",
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{
"id": "mp-15622",
"created_at": "2022-09-04T14:48:14.498300Z",
"structure_string": "Hf2 Se6\n1.0\n3.749518 0.000000 0.000000\n0.000000 5.448196 0.000000\n0.000000 1.097929 10.138903\nHf Se\n2 6\ndirect\n0.250000 0.720590 0.646032 Hf\n0.750000 0.279410 0.353968 Hf\n0.250000 0.092428 0.194621 Se\n0.750000 0.907572 0.805379 Se\n0.750000 0.759897 0.450570 Se\n0.250000 0.240103 0.549430 Se\n0.750000 0.469040 0.805244 Se\n0.250000 0.530960 0.194756 Se\n",
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"formula_full": "Hf2 Se6",
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"spacegroup": 11
},
{
"id": "mp-31423",
"created_at": "2022-09-04T14:48:11.554545Z",
"structure_string": "Ho3 Cu4 Si4\n1.0\n-2.062811 3.265324 6.829005\n2.062811 -3.265324 6.829005\n2.062811 3.265324 -6.829005\nHo Cu Si\n3 4 4\ndirect\n0.870675 0.370675 0.500000 Ho\n0.129325 0.629325 0.500000 Ho\n0.500000 0.500000 0.000000 Ho\n0.522085 0.831274 0.690811 Cu\n0.859538 0.168726 0.690811 Cu\n0.140462 0.831274 0.309189 Cu\n0.477915 0.168726 0.309189 Cu\n0.815298 0.000000 0.815298 Si\n0.184702 0.000000 0.184702 Si\n0.283896 0.283896 0.000000 Si\n0.716104 0.716104 0.000000 Si\n",
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{
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{
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{
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"structure_string": "Th4 Te4 S4 O28\n1.0\n14.026452 0.000000 0.000000\n0.000000 5.701314 0.000000\n0.000000 2.553776 7.243200\nTh Te S O\n4 4 4 28\ndirect\n0.633040 0.580638 0.590263 Th\n0.133040 0.919362 0.409737 Th\n0.366960 0.419362 0.409737 Th\n0.866960 0.080638 0.590263 Th\n0.626234 0.271210 0.265374 Te\n0.126234 0.228790 0.734626 Te\n0.373766 0.728790 0.734626 Te\n0.873766 0.771210 0.265374 Te\n0.639014 0.895185 0.884750 S\n0.139014 0.604815 0.115250 S\n0.360986 0.104815 0.115250 S\n0.860986 0.395185 0.884750 S\n0.586932 0.954017 0.414704 O\n0.086932 0.545983 0.585296 O\n0.413068 0.045983 0.585296 O\n0.913068 0.454017 0.414704 O\n0.673130 0.827610 0.074919 O\n0.173130 0.672390 0.925081 O\n0.326870 0.172390 0.925081 O\n0.826870 0.327610 0.074919 O\n0.599274 0.149981 0.817404 O\n0.099274 0.350019 0.182596 O\n0.400726 0.850019 0.182596 O\n0.900726 0.649981 0.817404 O\n0.567773 0.708842 0.863134 O\n0.067773 0.791158 0.136866 O\n0.432227 0.291158 0.136866 O\n0.932227 0.208842 0.863134 O\n0.719020 0.871712 0.756682 O\n0.219020 0.628288 0.243318 O\n0.280980 0.128288 0.243318 O\n0.780980 0.371712 0.756682 O\n0.540853 0.453177 0.367846 O\n0.040853 0.046823 0.632154 O\n0.459147 0.546823 0.632154 O\n0.959147 0.953177 0.367846 O\n0.719201 0.324794 0.432949 O\n0.219201 0.175206 0.567051 O\n0.280799 0.675206 0.567051 O\n0.780799 0.824794 0.432949 O\n",
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{
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"created_at": "2022-09-04T14:48:12.136601Z",
"structure_string": "La4 Cu4 Se8\n1.0\n7.610523 0.000000 0.000000\n0.000000 6.848241 0.000000\n0.000000 0.894943 7.212278\nLa Cu Se\n4 4 8\ndirect\n0.549126 0.308395 0.298647 La\n0.049126 0.691605 0.201353 La\n0.450874 0.691605 0.701353 La\n0.950874 0.308395 0.798647 La\n0.838873 0.932852 0.544935 Cu\n0.161127 0.067148 0.455065 Cu\n0.661127 0.932852 0.044935 Cu\n0.338873 0.067148 0.955065 Cu\n0.725554 0.588396 0.001081 Se\n0.774446 0.588396 0.501081 Se\n0.225554 0.411604 0.498919 Se\n0.274446 0.411604 0.998919 Se\n0.612932 0.094307 0.721276 Se\n0.112932 0.905693 0.778724 Se\n0.387068 0.905693 0.278724 Se\n0.887068 0.094307 0.221276 Se\n",
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{
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"created_at": "2022-09-04T14:48:17.355043Z",
"structure_string": "Cs4 Te4 Se12\n1.0\n6.867251 0.000000 0.000000\n0.000000 7.711609 0.000000\n0.000000 1.479017 13.736981\nCs Te Se\n4 4 12\ndirect\n0.387508 0.143848 0.139229 Cs\n0.887508 0.856152 0.360771 Cs\n0.612492 0.856152 0.860771 Cs\n0.112492 0.143848 0.639229 Cs\n0.564181 0.374228 0.373052 Te\n0.064181 0.625772 0.126948 Te\n0.435819 0.625772 0.626948 Te\n0.935819 0.374228 0.873052 Te\n0.504119 0.648742 0.209697 Se\n0.004119 0.351258 0.290303 Se\n0.495881 0.351258 0.790303 Se\n0.995881 0.648742 0.709697 Se\n0.199917 0.452314 0.416133 Se\n0.699917 0.547686 0.083867 Se\n0.800083 0.547686 0.583867 Se\n0.300083 0.452314 0.916133 Se\n0.093471 0.881149 0.973008 Se\n0.593471 0.118851 0.526992 Se\n0.906529 0.118851 0.026992 Se\n0.406529 0.881149 0.473008 Se\n",
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{
"id": "mp-995122",
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"structure_string": "Nb1 S2\n1.0\n1.688322 -2.924260 0.000000\n1.688322 2.924260 0.000000\n0.000000 0.000000 6.311268\nNb S\n1 2\ndirect\n0.000000 0.000000 0.000000 Nb\n0.666667 0.333333 0.754038 S\n0.333333 0.666667 0.245962 S\n",
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"formula_full": "Nb1 S2",
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"updated_at": "2021-11-28T01:39:04.203000Z",
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]
}