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{
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{
"id": "mp-1101685",
"created_at": "2022-09-04T14:46:55.476249Z",
"structure_string": "Nb1 V3 Fe2 P6 O24\n1.0\n7.469680 -4.365531 0.000000\n7.469680 4.365531 0.000000\n4.918318 0.000000 7.117873\nNb V Fe P O\n1 3 2 6 24\ndirect\n0.142860 0.142860 0.142860 Nb\n0.642052 0.642052 0.642052 V\n0.855827 0.855827 0.855827 V\n0.358274 0.358274 0.358274 V\n0.995075 0.995075 0.995075 Fe\n0.499312 0.499312 0.499312 Fe\n0.548383 0.955595 0.252486 P\n0.252486 0.548383 0.955595 P\n0.955595 0.252486 0.548383 P\n0.042221 0.745206 0.461791 P\n0.745206 0.461791 0.042221 P\n0.461791 0.042221 0.745206 P\n0.311752 0.505161 0.113897 O\n0.113897 0.311752 0.505161 O\n0.505161 0.113897 0.311752 O\n0.738077 0.940245 0.088610 O\n0.383475 0.003985 0.187008 O\n0.555313 0.762084 0.408787 O\n0.088610 0.738077 0.940245 O\n0.408787 0.555313 0.762084 O\n0.004818 0.812672 0.613422 O\n0.762084 0.408787 0.555313 O\n0.061865 0.910009 0.262809 O\n0.812672 0.613422 0.004818 O\n0.187008 0.383475 0.003985 O\n0.940245 0.088610 0.738077 O\n0.238689 0.589911 0.440445 O\n0.003985 0.187008 0.383475 O\n0.589911 0.440445 0.238689 O\n0.910009 0.262809 0.061865 O\n0.440445 0.238689 0.589911 O\n0.613422 0.004818 0.812672 O\n0.262809 0.061865 0.910009 O\n0.492440 0.885166 0.690290 O\n0.885166 0.690290 0.492440 O\n0.690290 0.492440 0.885166 O\n",
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},
{
"id": "mp-1204100",
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"structure_string": "Na4 Ca4 Al12 Si18 H32 O76\n1.0\n0.000000 -0.000000 6.644353\n9.366842 -0.000000 3.322177\n0.000000 28.610926 3.322177\nNa Ca Al Si H O\n4 4 12 18 32 76\ndirect\n0.174293 0.436811 0.977185 Na\n0.588289 0.563189 0.022815 Na\n0.361104 0.063189 0.477185 Na\n0.901478 0.936811 0.522815 Na\n0.232974 0.956588 0.846121 Ca\n0.035683 0.043412 0.153879 Ca\n0.939562 0.543412 0.346121 Ca\n0.829094 0.456588 0.653879 Ca\n0.361027 0.075975 0.939082 Al\n0.376084 0.924025 0.060918 Al\n0.187003 0.424025 0.439082 Al\n0.050109 0.575975 0.560918 Al\n0.554248 0.408865 0.774482 Al\n0.737596 0.591135 0.225518 Al\n0.713113 0.091135 0.274482 Al\n0.078730 0.908865 0.725518 Al\n0.409716 0.578130 0.895440 Al\n0.883287 0.421870 0.104560 Al\n0.737846 0.921870 0.395440 Al\n0.055157 0.078130 0.604560 Al\n0.756313 0.000000 0.000000 Si\n0.506313 0.500000 0.500000 Si\n0.856946 0.508350 0.837262 Si\n0.202558 0.491650 0.162738 Si\n0.115295 0.991650 0.337262 Si\n0.444208 0.008350 0.662738 Si\n0.238201 0.810843 0.971296 Si\n0.020340 0.189157 0.028704 Si\n0.799044 0.689157 0.471296 Si\n0.959497 0.310843 0.528704 Si\n0.162075 0.684022 0.805945 Si\n0.652042 0.315978 0.194055 Si\n0.596096 0.815978 0.305945 Si\n0.718020 0.184022 0.694055 Si\n0.320350 0.306752 0.860664 Si\n0.487766 0.693248 0.139336 Si\n0.377102 0.193248 0.360664 Si\n0.931014 0.806752 0.639336 Si\n0.791163 0.061716 0.908927 H\n0.761807 0.938284 0.091073 H\n0.602879 0.438284 0.408927 H\n0.450091 0.561716 0.591073 H\n0.803884 0.154346 0.863563 H\n0.821792 0.845654 0.136437 H\n0.708229 0.345654 0.363563 H\n0.417446 0.654346 0.636437 H\n0.705269 0.792311 0.806814 H\n0.304395 0.207689 0.193186 H\n0.247581 0.707689 0.306814 H\n0.262084 0.292311 0.693186 H\n0.614435 0.934325 0.778109 H\n0.326868 0.065675 0.221891 H\n0.298760 0.565675 0.278109 H\n0.142544 0.434325 0.721891 H\n0.785584 0.609309 0.933795 H\n0.328688 0.390690 0.066205 H\n0.144893 0.890691 0.433795 H\n0.469378 0.109310 0.566205 H\n0.867094 0.703085 0.966263 H\n0.536442 0.296915 0.033737 H\n0.320179 0.796915 0.466263 H\n0.583357 0.203085 0.533737 H\n0.055293 0.243460 0.803772 H\n0.102525 0.756540 0.196228 H\n0.048754 0.256540 0.303772 H\n0.609065 0.743460 0.696228 H\n0.002473 0.143728 0.769034 H\n0.915235 0.856272 0.230966 H\n0.896201 0.356272 0.269034 H\n0.521507 0.643728 0.730966 H\n0.683113 0.565274 0.883172 O\n0.131559 0.434726 0.116828 O\n0.998387 0.934726 0.383172 O\n0.316285 0.065274 0.616828 O\n0.760151 0.450021 0.796751 O\n0.006923 0.549979 0.203249 O\n0.960172 0.049979 0.296751 O\n0.306902 0.950021 0.703249 O\n0.621203 0.043274 0.955085 O\n0.619562 0.956726 0.044915 O\n0.414477 0.456726 0.455085 O\n0.326288 0.543274 0.544915 O\n0.347650 0.148076 0.882628 O\n0.378354 0.851924 0.117372 O\n0.245725 0.351924 0.382628 O\n0.980278 0.648076 0.617372 O\n0.100309 0.843891 0.783482 O\n0.727682 0.156109 0.216518 O\n0.694200 0.656109 0.283482 O\n0.633791 0.343891 0.716518 O\n0.317362 0.646857 0.952595 O\n0.916815 0.353143 0.047405 O\n0.714220 0.853143 0.452595 O\n0.019957 0.146857 0.547405 O\n0.257612 0.699033 0.855022 O\n0.811667 0.300967 0.144978 O\n0.706645 0.800967 0.355022 O\n0.862634 0.199033 0.644978 O\n0.473409 0.289977 0.811880 O\n0.575266 0.710023 0.188120 O\n0.513386 0.210023 0.311880 O\n0.035289 0.789977 0.688120 O\n0.177844 0.188753 0.981068 O\n0.347665 0.811247 0.018932 O\n0.116597 0.311247 0.481068 O\n0.908912 0.688753 0.518932 O\n0.301605 0.916973 0.931329 O\n0.149907 0.083027 0.068671 O\n0.968578 0.583027 0.431329 O\n0.982935 0.416973 0.568671 O\n0.335155 0.568092 0.770331 O\n0.673577 0.431908 0.229669 O\n0.653247 0.931908 0.270331 O\n0.855486 0.068092 0.729669 O\n0.365806 0.412133 0.897513 O\n0.675452 0.587867 0.102487 O\n0.527939 0.087867 0.397513 O\n0.013319 0.912133 0.602487 O\n0.064701 0.375827 0.851338 O\n0.291866 0.624173 0.148662 O\n0.190528 0.124173 0.351338 O\n0.666040 0.875827 0.648662 O\n0.938202 0.643427 0.817763 O\n0.399391 0.356573 0.182237 O\n0.331628 0.856573 0.317763 O\n0.505964 0.143427 0.682237 O\n0.972561 0.863238 0.983550 O\n0.819349 0.136762 0.016450 O\n0.585799 0.636762 0.483550 O\n0.706111 0.363238 0.516450 O\n0.890786 0.078876 0.882490 O\n0.852153 0.921124 0.117510 O\n0.719662 0.421124 0.382490 O\n0.523277 0.578876 0.617510 O\n0.572674 0.872331 0.801414 O\n0.246419 0.127669 0.198586 O\n0.195005 0.627669 0.301414 O\n0.124088 0.372331 0.698586 O\n0.839291 0.612277 0.964496 O\n0.416065 0.387723 0.035504 O\n0.201568 0.887723 0.464496 O\n0.553788 0.112277 0.535504 O\n0.097700 0.144663 0.792697 O\n0.035060 0.855337 0.207303 O\n0.992363 0.355337 0.292697 O\n0.640398 0.644663 0.707303 O\n",
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"elements": [
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],
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"density": 2.172648033213872,
"density_atomic": 0.08199267389305136,
"volume": 1780.646892799688,
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"formula_full": "Na4 Ca4 Al12 Si18 H32 O76",
"formula_reduced": "Na2Ca2Al6Si9(H8O19)2",
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"energy": -1025.96273673,
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"spacegroup": 43
},
{
"id": "mp-1033655",
"created_at": "2022-09-04T14:46:55.488348Z",
"structure_string": "Hf1 Mg14 Ga1 O16\n1.0\n8.743328 0.000000 0.000000\n0.000000 8.743328 0.000000\n0.000000 0.000000 4.340510\nHf Mg Ga O\n1 14 1 16\ndirect\n0.500000 0.500000 0.000000 Hf\n-0.000000 0.500000 0.000000 Mg\n0.500000 0.000000 0.000000 Mg\n-0.000000 0.249356 0.500000 Mg\n-0.000000 0.750644 0.500000 Mg\n0.500000 0.239248 0.500000 Mg\n0.500000 0.760752 0.500000 Mg\n0.249356 -0.000000 0.500000 Mg\n0.239248 0.500000 0.500000 Mg\n0.750644 0.000000 0.500000 Mg\n0.760752 0.500000 0.500000 Mg\n0.241297 0.241297 0.000000 Mg\n0.241297 0.758703 0.000000 Mg\n0.758703 0.241297 -0.000000 Mg\n0.758703 0.758703 0.000000 Mg\n-0.000000 0.000000 0.000000 Ga\n0.274852 0.000000 0.000000 O\n0.254470 0.500000 -0.000000 O\n0.725148 -0.000000 -0.000000 O\n0.745530 0.500000 0.000000 O\n0.251133 0.251133 0.500000 O\n0.251133 0.748867 0.500000 O\n0.748867 0.251133 0.500000 O\n0.748867 0.748867 0.500000 O\n-0.000000 0.000000 0.500000 O\n-0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n-0.000000 0.274852 0.000000 O\n-0.000000 0.725148 0.000000 O\n0.500000 0.254470 0.000000 O\n0.500000 0.745530 -0.000000 O\n",
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{
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"structure_string": "Tb4 Fe1 Ge8\n1.0\n0.000000 0.000000 3.996539\n4.156720 0.000000 0.000000\n0.000000 16.008439 0.000000\nTb Fe Ge\n4 1 8\ndirect\n0.250000 0.000000 0.398089 Tb\n0.250000 0.500000 0.894855 Tb\n0.750000 0.500000 0.102811 Tb\n0.750000 0.000000 0.604283 Tb\n0.250000 0.000000 0.190277 Fe\n0.250000 0.500000 0.259119 Ge\n0.250000 0.000000 0.751570 Ge\n0.750000 0.000000 0.260373 Ge\n0.750000 0.500000 0.748440 Ge\n0.250000 0.000000 0.045651 Ge\n0.250000 0.500000 0.551911 Ge\n0.750000 0.500000 0.445979 Ge\n0.750000 0.000000 0.943843 Ge\n",
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{
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{
"id": "mp-561236",
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"structure_string": "Pb26 Cl12 O20\n1.0\n3.543373 8.181950 0.000000\n-3.543373 8.181950 0.000000\n0.000000 3.271985 23.568971\nPb Cl O\n26 12 20\ndirect\n0.674450 0.116954 0.790680 Pb\n0.618026 0.733381 0.846762 Pb\n0.006292 0.159701 0.866586 Pb\n0.840299 0.993708 0.633414 Pb\n0.949963 0.777909 0.916789 Pb\n0.116954 0.674450 0.290680 Pb\n0.292243 0.802927 0.988563 Pb\n0.166083 0.366411 0.437371 Pb\n0.993708 0.840299 0.133414 Pb\n0.236423 0.763577 0.750000 Pb\n0.802927 0.292243 0.488563 Pb\n0.777909 0.949963 0.416789 Pb\n0.833917 0.633589 0.562629 Pb\n0.366411 0.166083 0.937371 Pb\n0.159701 0.006292 0.366586 Pb\n0.633589 0.833917 0.062629 Pb\n0.325550 0.883046 0.209320 Pb\n0.883046 0.325550 0.709320 Pb\n0.197073 0.707757 0.511437 Pb\n0.733381 0.618026 0.346762 Pb\n0.707757 0.197073 0.011437 Pb\n0.222091 0.050037 0.583211 Pb\n0.050037 0.222091 0.083211 Pb\n0.266619 0.381974 0.653238 Pb\n0.381974 0.266619 0.153238 Pb\n0.763577 0.236423 0.250000 Pb\n0.494250 0.180985 0.543684 Cl\n0.009327 0.350085 0.252598 Cl\n0.429135 0.505554 0.364602 Cl\n0.494446 0.570865 0.135398 Cl\n0.350085 0.009327 0.752598 Cl\n0.570865 0.494446 0.635398 Cl\n0.505750 0.819015 0.456316 Cl\n0.649915 0.990673 0.247402 Cl\n0.505554 0.429135 0.864602 Cl\n0.990673 0.649915 0.747402 Cl\n0.180985 0.494250 0.043684 Cl\n0.819015 0.505750 0.956316 Cl\n0.985289 0.967651 0.817069 O\n0.982235 0.673836 0.481726 O\n0.002157 0.018013 0.558072 O\n0.950254 0.330530 0.401534 O\n0.967651 0.985289 0.317069 O\n0.997843 0.981987 0.441928 O\n0.032349 0.014711 0.682931 O\n0.326164 0.017765 0.018274 O\n0.330530 0.950254 0.901534 O\n0.018013 0.002157 0.058072 O\n0.660767 0.947666 0.863597 O\n0.947666 0.660767 0.363597 O\n0.673836 0.982235 0.981726 O\n0.052334 0.339233 0.636403 O\n0.981987 0.997843 0.941928 O\n0.669469 0.049746 0.098466 O\n0.014711 0.032349 0.182931 O\n0.049746 0.669469 0.598466 O\n0.339233 0.052334 0.136403 O\n0.017765 0.326164 0.518274 O\n",
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{
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{
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{
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