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{
"id": "mp-1012740",
"created_at": "2022-09-04T14:41:19.282812Z",
"structure_string": "H24 Ru4 C4 I12 N4\n1.0\n7.684180 0.000000 0.000000\n0.019775 7.696398 0.000000\n0.150254 0.003895 13.734870\nH Ru C I N\n24 4 4 12 4\ndirect\n0.088532 0.387951 0.721096 H\n0.043944 0.614338 0.698511 H\n0.950697 0.424289 0.882369 H\n0.913495 0.631983 0.861272 H\n0.117867 0.560138 0.868519 H\n0.591342 0.939569 0.692259 H\n0.517227 0.154389 0.720565 H\n0.496545 0.843719 0.850797 H\n0.417018 0.040899 0.880257 H\n0.628913 0.013314 0.865320 H\n0.507291 0.859464 0.213104 H\n0.618538 0.062923 0.204059 H\n0.393889 0.951212 0.372288 H\n0.495996 0.141312 0.362735 H\n0.608746 0.957344 0.371866 H\n0.089119 0.429720 0.193011 H\n0.013400 0.646197 0.215898 H\n0.994650 0.351202 0.356350 H\n0.923803 0.552677 0.379646 H\n0.135326 0.514022 0.362038 H\n0.385562 0.057185 0.203566 H\n0.362223 0.981929 0.709276 H\n0.868558 0.462582 0.711987 H\n0.861667 0.470606 0.211000 H\n0.001441 0.004525 0.090571 Ru\n0.493460 0.497633 0.447154 Ru\n0.995840 0.008887 0.488283 Ru\n0.498520 0.495157 0.053199 Ru\n0.992814 0.508778 0.232044 C\n0.493794 0.015873 0.732185 C\n0.503072 0.997025 0.232617 C\n0.999724 0.496281 0.735624 C\n0.002526 0.018745 0.289069 I\n0.497555 0.510894 0.848721 I\n0.986604 0.996207 0.691988 I\n0.485102 0.477766 0.250950 I\n0.247599 0.234588 0.019054 I\n0.755206 0.732412 0.502148 I\n0.765982 0.246304 0.019621 I\n0.262986 0.754235 0.509083 I\n0.754795 0.761616 0.033315 I\n0.250069 0.263539 0.520459 I\n0.241895 0.755868 0.032951 I\n0.730131 0.253604 0.516699 I\n0.012522 0.480524 0.338154 N\n0.509792 0.976932 0.837909 N\n0.500072 0.012782 0.340222 N\n0.995374 0.530192 0.842354 N\n",
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"formula_full": "H24 Ru4 C4 I12 N4",
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},
{
"id": "mp-1229100",
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"structure_string": "Ag2 Se1\n1.0\n-2.303267 2.303267 -3.181388\n2.303267 -2.303267 -3.181388\n-2.303267 -2.303267 -3.181388\nAg Se\n2 1\ndirect\n0.750000 0.250000 0.500000 Ag\n0.250000 0.750000 0.500000 Ag\n0.000000 0.000000 0.000000 Se\n",
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"density": 7.248676656330144,
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"spacegroup": 225
},
{
"id": "mp-1201030",
"created_at": "2022-09-04T14:41:19.318299Z",
"structure_string": "Sr1 B12 H12 O8\n1.0\n4.225526 2.439609 5.186753\n-4.225526 2.439609 5.186753\n0.000000 -4.879217 5.186753\nSr B H O\n1 12 12 8\ndirect\n0.000000 0.000000 0.000000 Sr\n0.489580 0.722021 0.555794 B\n0.722021 0.555794 0.489580 B\n0.555794 0.489580 0.722021 B\n0.510420 0.277979 0.444206 B\n0.277979 0.444206 0.510420 B\n0.444206 0.510420 0.277979 B\n0.306912 0.706242 0.414142 B\n0.706242 0.414142 0.306912 B\n0.414142 0.306912 0.706242 B\n0.693088 0.293758 0.585858 B\n0.293758 0.585858 0.693088 B\n0.585858 0.693088 0.293758 B\n0.475276 0.874931 0.599203 H\n0.874931 0.599203 0.475276 H\n0.599203 0.475276 0.874931 H\n0.524724 0.125069 0.400797 H\n0.125069 0.400797 0.524724 H\n0.400797 0.524724 0.125069 H\n0.191040 0.054173 0.282483 H\n0.054173 0.282483 0.191040 H\n0.282483 0.191040 0.054173 H\n0.808960 0.945827 0.717517 H\n0.945827 0.717517 0.808960 H\n0.717517 0.808960 0.945827 H\n0.796516 0.796516 0.796516 O\n0.203484 0.203484 0.203484 O\n0.836171 0.147916 0.663199 O\n0.147916 0.663199 0.836171 O\n0.663199 0.836171 0.147916 O\n0.163829 0.852084 0.336801 O\n0.852084 0.336801 0.163829 O\n0.336801 0.163829 0.852084 O\n",
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"volume": 320.8099008279471,
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"formula_full": "Sr1 B12 H12 O8",
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{
"id": "mp-645340",
"created_at": "2022-09-04T14:41:19.348836Z",
"structure_string": "Nd16 B48 O96\n1.0\n7.547886 0.000000 0.000000\n0.000000 12.566181 0.000000\n0.000000 0.000000 16.348309\nNd B O\n16 48 96\ndirect\n0.750000 0.069734 0.829631 Nd\n0.250000 0.223177 0.373914 Nd\n0.750000 0.413936 0.952753 Nd\n0.750000 0.776823 0.626086 Nd\n0.250000 0.913936 0.547247 Nd\n0.250000 0.930266 0.170369 Nd\n0.750000 0.004960 0.120364 Nd\n0.250000 0.276823 0.873914 Nd\n0.250000 0.995040 0.879636 Nd\n0.750000 0.495040 0.620364 Nd\n0.750000 0.086064 0.452753 Nd\n0.750000 0.723177 0.126086 Nd\n0.250000 0.504960 0.379636 Nd\n0.250000 0.569734 0.670369 Nd\n0.750000 0.430266 0.329631 Nd\n0.250000 0.586064 0.047247 Nd\n0.426824 0.344452 0.059524 B\n0.937847 0.180678 0.972025 B\n0.577731 0.645760 0.389149 B\n0.428936 0.187225 0.717008 B\n0.426824 0.155548 0.559524 B\n0.437847 0.680678 0.527975 B\n0.062153 0.819322 0.027975 B\n0.062153 0.680678 0.527975 B\n0.573176 0.844452 0.440476 B\n0.425658 0.518885 0.844756 B\n0.574342 0.481115 0.155244 B\n0.073176 0.344452 0.059524 B\n0.562153 0.319322 0.472025 B\n0.931555 0.370006 0.756580 B\n0.928936 0.812775 0.282992 B\n0.071064 0.312775 0.217008 B\n0.073176 0.155548 0.559524 B\n0.422269 0.354240 0.610851 B\n0.428936 0.312775 0.217008 B\n0.068445 0.870006 0.743420 B\n0.077731 0.145760 0.110851 B\n0.568445 0.129994 0.256580 B\n0.562153 0.180678 0.972025 B\n0.431555 0.629994 0.243420 B\n0.573176 0.655548 0.940476 B\n0.926824 0.655548 0.940476 B\n0.437847 0.819322 0.027975 B\n0.068445 0.629994 0.243420 B\n0.577731 0.854240 0.889149 B\n0.928936 0.687225 0.782992 B\n0.425658 0.981115 0.344756 B\n0.937847 0.319322 0.472025 B\n0.422269 0.145760 0.110851 B\n0.925658 0.018885 0.655244 B\n0.926824 0.844452 0.440476 B\n0.571064 0.812775 0.282992 B\n0.925658 0.481115 0.155244 B\n0.077731 0.354240 0.610851 B\n0.074342 0.518885 0.844756 B\n0.922269 0.854240 0.889149 B\n0.071064 0.187225 0.717008 B\n0.568445 0.370006 0.756580 B\n0.574342 0.018885 0.655244 B\n0.922269 0.645760 0.389149 B\n0.074342 0.981115 0.344756 B\n0.571064 0.687225 0.782992 B\n0.931555 0.129994 0.256580 B\n0.431555 0.870006 0.743420 B\n0.057675 0.567558 0.166830 O\n0.572626 0.734084 0.869994 O\n0.750000 0.849576 0.255217 O\n0.555806 0.100583 0.718309 O\n0.484877 0.291807 0.983071 O\n0.250000 0.698185 0.559188 O\n0.250000 0.863859 0.774161 O\n0.572626 0.765916 0.369994 O\n0.012841 0.268236 0.774698 O\n0.450677 0.566399 0.926826 O\n0.512841 0.768236 0.725302 O\n0.060749 0.874997 0.949809 O\n0.750000 0.967372 0.661506 O\n0.557675 0.067558 0.333170 O\n0.987159 0.768236 0.725302 O\n0.034970 0.081518 0.185087 O\n0.750000 0.363859 0.725839 O\n0.939251 0.125003 0.050191 O\n0.465030 0.081518 0.185087 O\n0.555806 0.399417 0.218309 O\n0.439251 0.625003 0.449809 O\n0.750000 0.610730 0.420073 O\n0.534970 0.581518 0.314913 O\n0.012841 0.231764 0.274698 O\n0.750000 0.532628 0.161506 O\n0.463628 0.128042 0.907227 O\n0.944194 0.399417 0.218309 O\n0.015123 0.208193 0.483071 O\n0.984877 0.708193 0.016929 O\n0.072626 0.234084 0.630006 O\n0.250000 0.032628 0.338494 O\n0.427374 0.234084 0.630006 O\n0.987159 0.731764 0.225302 O\n0.444194 0.600583 0.781691 O\n0.250000 0.389270 0.579927 O\n0.549323 0.066399 0.573174 O\n0.963628 0.871958 0.092773 O\n0.560749 0.374997 0.550191 O\n0.250000 0.636141 0.274161 O\n0.465030 0.418482 0.685087 O\n0.427374 0.265916 0.130006 O\n0.549323 0.433601 0.073174 O\n0.250000 0.108789 0.547148 O\n0.512841 0.731764 0.225302 O\n0.036372 0.128042 0.907227 O\n0.557675 0.432442 0.833170 O\n0.049323 0.933601 0.426826 O\n0.049323 0.566399 0.926826 O\n0.944194 0.100583 0.718309 O\n0.536372 0.628042 0.592773 O\n0.750000 0.650424 0.755217 O\n0.055806 0.600583 0.781691 O\n0.965030 0.918482 0.814913 O\n0.536372 0.871958 0.092773 O\n0.250000 0.801815 0.059188 O\n0.939251 0.374997 0.550191 O\n0.963628 0.628042 0.592773 O\n0.250000 0.349576 0.244783 O\n0.055806 0.899417 0.281691 O\n0.487159 0.268236 0.774698 O\n0.950677 0.066399 0.573174 O\n0.250000 0.110730 0.079927 O\n0.965030 0.581518 0.314913 O\n0.250000 0.467372 0.838494 O\n0.072626 0.265916 0.130006 O\n0.750000 0.889270 0.920073 O\n0.515123 0.708193 0.016929 O\n0.015123 0.291807 0.983071 O\n0.750000 0.198185 0.940812 O\n0.250000 0.150424 0.744783 O\n0.057675 0.932442 0.666830 O\n0.942325 0.432442 0.833170 O\n0.060749 0.625003 0.449809 O\n0.750000 0.301815 0.440812 O\n0.942325 0.067558 0.333170 O\n0.484877 0.208193 0.483071 O\n0.442325 0.932442 0.666830 O\n0.984877 0.791807 0.516929 O\n0.515123 0.791807 0.516929 O\n0.750000 0.608789 0.952852 O\n0.439251 0.874997 0.949809 O\n0.927374 0.765916 0.369994 O\n0.444194 0.899417 0.281691 O\n0.034970 0.418482 0.685087 O\n0.036372 0.371958 0.407227 O\n0.534970 0.918482 0.814913 O\n0.450677 0.933601 0.426826 O\n0.750000 0.891211 0.452852 O\n0.560749 0.125003 0.050191 O\n0.927374 0.734084 0.869994 O\n0.750000 0.136141 0.225839 O\n0.442325 0.567558 0.166830 O\n0.250000 0.391211 0.047148 O\n0.950677 0.433601 0.073174 O\n0.487159 0.231764 0.274698 O\n0.463628 0.371958 0.407227 O\n",
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{
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"structure_string": "Cd8 Te8 O28\n1.0\n7.548770 0.000000 0.000000\n1.886539 8.295074 0.000000\n1.959215 0.165021 9.938713\nCd Te O\n8 8 28\ndirect\n0.190583 0.348231 0.890132 Cd\n0.809417 0.651769 0.109868 Cd\n0.256280 0.490816 0.491865 Cd\n0.743720 0.509184 0.508135 Cd\n0.307489 0.624209 0.113537 Cd\n0.692511 0.375791 0.886463 Cd\n0.500000 0.000000 0.000000 Cd\n0.000000 0.000000 0.000000 Cd\n0.041651 0.167797 0.645885 Te\n0.958349 0.832203 0.354115 Te\n0.119791 0.268475 0.234516 Te\n0.880209 0.731525 0.765484 Te\n0.559193 0.101341 0.650648 Te\n0.440807 0.898659 0.349352 Te\n0.623411 0.275852 0.227886 Te\n0.376589 0.724148 0.772114 Te\n0.113888 0.806265 0.755752 O\n0.886112 0.193735 0.244248 O\n0.318992 0.845289 0.934607 O\n0.681008 0.154711 0.065393 O\n0.367785 0.532547 0.888084 O\n0.632215 0.467453 0.111916 O\n0.411189 0.937187 0.663631 O\n0.588811 0.062813 0.336369 O\n0.429680 0.614821 0.606347 O\n0.570320 0.385179 0.393653 O\n0.494900 0.181779 0.826846 O\n0.505100 0.818221 0.173154 O\n0.642268 0.666040 0.775683 O\n0.357732 0.333960 0.224317 O\n0.767915 0.711519 0.356813 O\n0.232085 0.288481 0.643187 O\n0.003596 0.818963 0.161774 O\n0.996404 0.181037 0.838226 O\n0.042423 0.352581 0.412196 O\n0.957577 0.647419 0.587804 O\n0.062895 0.463359 0.132870 O\n0.937105 0.536641 0.867130 O\n0.201474 0.693596 0.342587 O\n0.798526 0.306404 0.657413 O\n0.206545 0.153601 0.067356 O\n0.793455 0.846399 0.932644 O\n0.209686 0.050175 0.329314 O\n0.790314 0.949825 0.670686 O\n",
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{
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{
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