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{
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"structure_string": "Mg14 Mn1 C1 O16\n1.0\n8.540542 0.000000 0.000000\n0.000000 8.540542 0.000000\n0.000000 0.000000 4.250647\nMg Mn C O\n14 1 1 16\ndirect\n0.500000 0.000000 0.000000 Mg\n0.000000 0.500000 0.000000 Mg\n0.252900 0.000000 0.500000 Mg\n0.747100 0.000000 0.500000 Mg\n0.253281 0.500000 0.500000 Mg\n0.746719 0.500000 0.500000 Mg\n0.000000 0.252900 0.500000 Mg\n0.500000 0.253281 0.500000 Mg\n0.000000 0.747100 0.500000 Mg\n0.500000 0.746719 0.500000 Mg\n0.253281 0.253281 0.000000 Mg\n0.746719 0.253281 0.000000 Mg\n0.253281 0.746719 0.000000 Mg\n0.746719 0.746719 0.000000 Mg\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.000000 C\n0.000000 0.257908 0.000000 O\n0.500000 0.250062 0.000000 O\n0.000000 0.742092 0.000000 O\n0.500000 0.749938 0.000000 O\n0.250749 0.250749 0.500000 O\n0.749251 0.250749 0.500000 O\n0.250749 0.749251 0.500000 O\n0.749251 0.749251 0.500000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.500000 0.500000 O\n0.257908 0.000000 0.000000 O\n0.742092 0.000000 0.000000 O\n0.250062 0.500000 0.000000 O\n0.749938 0.500000 0.000000 O\n",
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{
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"structure_string": "Cs1 Np2 Se6\n1.0\n-2.062972 2.746409 11.960432\n2.062972 -2.746409 11.960432\n2.062972 2.746409 -11.960432\nCs Np Se\n1 2 6\ndirect\n0.000000 0.000000 0.000000 Cs\n0.812087 0.812087 0.000000 Np\n0.187913 0.187913 0.000000 Np\n0.875488 0.619275 0.256214 Se\n0.124512 0.380725 0.743786 Se\n0.636939 0.380725 0.256214 Se\n0.363061 0.619275 0.743786 Se\n0.727639 0.227639 0.500000 Se\n0.272361 0.772361 0.500000 Se\n",
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"density": 6.620258695201376,
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"volume": 271.0599817051874,
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"formula_full": "Cs1 Np2 Se6",
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"spacegroup": 71
},
{
"id": "mp-1039536",
"created_at": "2022-09-04T14:40:15.154703Z",
"structure_string": "Ca3 Mg3\n1.0\n1.843700 -3.193381 0.000000\n1.843700 3.193381 0.000000\n0.000000 0.000000 16.781714\nCa Mg\n3 3\ndirect\n0.000000 0.000000 0.000000 Ca\n0.666667 0.333333 0.805774 Ca\n0.666667 0.333333 0.194226 Ca\n0.000000 0.000000 0.642377 Mg\n0.666667 0.333333 0.500000 Mg\n0.000000 0.000000 0.357623 Mg\n",
"nsites": 6,
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},
{
"id": "mp-23563",
"created_at": "2022-09-04T14:40:21.532619Z",
"structure_string": "Si6 Cl12 O6\n1.0\n6.793984 0.000000 0.000000\n2.613876 8.748984 0.000000\n2.498289 1.805533 11.394828\nSi Cl O\n6 12 6\ndirect\n0.452101 0.175560 0.710709 Si\n0.547899 0.824440 0.289291 Si\n0.485287 0.273053 0.932252 Si\n0.490419 0.496129 0.706466 Si\n0.509581 0.503871 0.293534 Si\n0.514713 0.726947 0.067748 Si\n0.235666 0.300108 0.062177 Cl\n0.764334 0.699892 0.937823 Cl\n0.750867 0.188975 0.002366 Cl\n0.249133 0.811025 0.997634 Cl\n0.248485 0.682643 0.678117 Cl\n0.751515 0.317357 0.321883 Cl\n0.761580 0.551862 0.630258 Cl\n0.238420 0.448138 0.369742 Cl\n0.823794 0.854709 0.306482 Cl\n0.176206 0.145291 0.693518 Cl\n0.687757 0.018797 0.630844 Cl\n0.312243 0.981203 0.369156 Cl\n0.488323 0.440268 0.848166 O\n0.511677 0.559732 0.151834 O\n0.468403 0.351830 0.651024 O\n0.531597 0.648170 0.348976 O\n0.469094 0.153192 0.850308 O\n0.530906 0.846808 0.149692 O\n",
"nsites": 24,
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"elements": [
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{
"id": "mp-1216497",
"created_at": "2022-09-04T14:40:11.346836Z",
"structure_string": "Zr1 Ti3 P8 O36\n1.0\n5.281173 0.000000 0.000000\n-0.073787 8.628525 0.000000\n-0.129215 -3.990029 15.536673\nZr Ti P O\n1 3 8 36\ndirect\n0.212662 0.262355 0.046479 Zr\n0.755271 0.226030 0.471616 Ti\n0.762876 0.750861 0.960288 Ti\n0.277202 0.744643 0.530177 Ti\n0.285346 0.672626 0.084413 P\n0.785722 0.834777 0.415309 P\n0.697324 0.360825 0.921831 P\n0.251443 0.145434 0.592382 P\n0.723496 0.088412 0.113622 P\n0.252108 0.379587 0.390519 P\n0.258036 0.896779 0.883834 P\n0.767744 0.611105 0.605850 P\n0.064953 0.732178 0.040962 O\n0.582393 0.755141 0.456120 O\n0.890333 0.289734 0.971296 O\n0.470524 0.203245 0.543860 O\n0.670238 0.996387 0.188423 O\n0.241292 0.426457 0.305087 O\n0.269840 0.945171 0.798871 O\n0.796572 0.582119 0.711293 O\n0.372686 0.954842 0.182537 O\n0.877483 0.596277 0.274775 O\n0.590834 0.116573 0.779455 O\n0.005640 0.516910 0.728410 O\n0.730452 0.965948 0.026256 O\n0.243064 0.529929 0.468516 O\n0.256273 0.042164 0.963217 O\n0.790149 0.448185 0.546568 O\n0.328910 0.796005 0.184952 O\n0.761440 0.730589 0.302890 O\n0.724584 0.243773 0.812617 O\n0.243829 0.239229 0.685845 O\n0.542520 0.677277 0.043166 O\n0.053125 0.803905 0.439240 O\n0.428181 0.340320 0.947084 O\n0.996386 0.157343 0.545125 O\n0.230974 0.511904 0.106070 O\n0.722709 0.998642 0.403720 O\n0.778228 0.516039 0.902172 O\n0.299334 0.963759 0.584058 O\n0.515799 0.212086 0.114922 O\n0.024160 0.271464 0.401856 O\n0.483135 0.785461 0.893954 O\n0.983257 0.726281 0.601685 O\n0.980204 0.174417 0.132143 O\n0.503235 0.291611 0.396932 O\n0.009447 0.798403 0.884234 O\n0.508590 0.686798 0.615373 O\n",
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"formula_full": "Zr1 Ti3 P8 O36",
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{
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"created_at": "2022-09-04T14:40:29.915781Z",
"structure_string": "La4 Fe1 Co3 O12\n1.0\n5.469417 0.000000 0.000000\n-0.018360 5.544911 0.000000\n-0.197964 -0.062197 7.881007\nLa Fe Co O\n4 1 3 12\ndirect\n0.495110 0.000867 0.245755 La\n0.003897 0.497658 0.755878 La\n0.504890 0.999133 0.754245 La\n0.996103 0.502342 0.244122 La\n0.500000 0.500000 0.500000 Fe\n0.000000 0.000000 0.500000 Co\n0.500000 0.500000 0.000000 Co\n0.000000 0.000000 0.000000 Co\n0.213192 0.274880 0.532739 O\n0.723673 0.789240 0.031419 O\n0.276535 0.788954 0.468713 O\n0.789049 0.272417 0.966251 O\n0.997869 0.932231 0.757072 O\n0.500210 0.438544 0.252511 O\n0.723465 0.211046 0.531287 O\n0.210951 0.727583 0.033749 O\n0.002131 0.067769 0.242928 O\n0.499790 0.561456 0.747489 O\n0.786808 0.725120 0.467261 O\n0.276327 0.210760 0.968581 O\n",
"nsites": 20,
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{
"id": "mp-1247417",
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"structure_string": "Cs8 Ca20 N16\n1.0\n7.932784 0.000000 -0.000000\n0.000000 7.932784 -0.000000\n-0.000000 -0.000000 17.831936\nCs Ca N\n8 20 16\ndirect\n0.034243 0.965757 0.250000 Cs\n0.465757 0.965757 0.750000 Cs\n0.034243 0.534243 0.750000 Cs\n0.465757 0.534243 0.250000 Cs\n0.965757 0.034243 0.750000 Cs\n0.534243 0.034243 0.250000 Cs\n0.965757 0.465757 0.250000 Cs\n0.534243 0.465757 0.750000 Cs\n0.750000 0.750000 0.418869 Ca\n0.750000 0.750000 0.918869 Ca\n0.250000 0.250000 0.581131 Ca\n0.250000 0.250000 0.081131 Ca\n0.134819 0.579577 0.437462 Ca\n0.365181 0.579577 0.937462 Ca\n0.134819 0.920423 0.937462 Ca\n0.365181 0.920423 0.437462 Ca\n0.579577 0.134819 0.937462 Ca\n0.920423 0.134819 0.437462 Ca\n0.579577 0.365181 0.437462 Ca\n0.920423 0.365181 0.937462 Ca\n0.865181 0.420423 0.562538 Ca\n0.634819 0.420423 0.062538 Ca\n0.865181 0.079577 0.062538 Ca\n0.634819 0.079577 0.562538 Ca\n0.420423 0.865181 0.062538 Ca\n0.079577 0.865181 0.562538 Ca\n0.420423 0.634819 0.562538 Ca\n0.079577 0.634819 0.062538 Ca\n0.634955 0.051842 0.421930 N\n0.865045 0.051842 0.921930 N\n0.634955 0.448158 0.921930 N\n0.865045 0.448158 0.421930 N\n0.051842 0.634955 0.921930 N\n0.448158 0.634955 0.421930 N\n0.051842 0.865045 0.421930 N\n0.448158 0.865045 0.921930 N\n0.365045 0.948158 0.578070 N\n0.134955 0.948158 0.078070 N\n0.365045 0.551842 0.078070 N\n0.134955 0.551842 0.578070 N\n0.948158 0.365045 0.078070 N\n0.551842 0.365045 0.578070 N\n0.948158 0.134955 0.578070 N\n0.551842 0.134955 0.078070 N\n",
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"formula_full": "Cs8 Ca20 N16",
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{
"id": "mp-1173263",
"created_at": "2022-09-04T14:40:17.916412Z",
"structure_string": "Sr8 Mn4 Bi4 Pb4 O24\n1.0\n5.417190 5.511825 0.002539\n-5.417330 5.511962 0.002341\n0.000188 2.761088 12.203466\nSr Mn Bi Pb O\n8 4 4 4 24\ndirect\n0.287243 0.792508 0.347760 Sr\n0.786196 0.293181 0.347824 Sr\n0.706915 0.213932 0.652165 Sr\n0.207566 0.712827 0.652257 Sr\n0.708499 0.716190 0.652700 Sr\n0.209166 0.216775 0.652782 Sr\n0.783150 0.790724 0.347248 Sr\n0.283717 0.291385 0.347274 Sr\n0.496782 0.003328 0.500014 Mn\n0.996756 0.503188 0.500010 Mn\n0.996614 0.003223 0.500014 Mn\n0.496466 0.503181 0.499959 Mn\n0.432401 0.406249 0.869828 Bi\n0.932511 0.906303 0.869643 Bi\n0.093720 0.067505 0.130357 Bi\n0.593778 0.567568 0.130174 Bi\n0.604572 0.089695 0.129604 Pb\n0.104185 0.589810 0.129816 Pb\n0.410269 0.895769 0.870194 Pb\n0.910291 0.395454 0.870378 Pb\n0.749382 0.003860 0.494522 O\n0.249185 0.503789 0.494091 O\n0.496207 0.750776 0.505886 O\n0.996168 0.250568 0.505469 O\n0.244347 0.001633 0.505070 O\n0.744332 0.501542 0.505523 O\n0.498480 0.255648 0.494462 O\n0.998455 0.755625 0.495010 O\n0.531951 0.038005 0.311482 O\n0.030125 0.537923 0.311964 O\n0.462221 0.969940 0.688062 O\n0.962004 0.468065 0.688508 O\n0.930240 0.945502 0.697250 O\n0.430070 0.445530 0.697302 O\n0.554441 0.569895 0.302714 O\n0.054597 0.069748 0.302760 O\n0.860024 0.921019 0.139459 O\n0.359946 0.421220 0.139570 O\n0.578798 0.640065 0.860426 O\n0.078982 0.139983 0.860544 O\n0.660948 0.246750 0.855566 O\n0.161167 0.746601 0.855547 O\n0.253391 0.838850 0.144456 O\n0.753344 0.339070 0.144357 O\n",
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{
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