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{
"id": "mp-1198584",
"created_at": "2022-09-04T14:46:57.632503Z",
"structure_string": "Ni3 P2 H16 O16\n1.0\n6.584481 5.007713 0.000000\n-6.584481 5.007713 0.000000\n0.000000 1.196408 4.495597\nNi P H O\n3 2 16 16\ndirect\n0.000000 0.000000 0.500000 Ni\n0.388768 0.611232 0.500000 Ni\n0.611232 0.388768 0.500000 Ni\n0.686854 0.686854 0.886106 P\n0.313146 0.313146 0.113894 P\n0.039503 0.204262 0.862620 H\n0.204262 0.039503 0.862620 H\n0.960497 0.795738 0.137380 H\n0.795738 0.960497 0.137380 H\n0.055088 0.315103 0.542664 H\n0.315103 0.055088 0.542664 H\n0.944912 0.684897 0.457336 H\n0.684897 0.944912 0.457336 H\n0.176158 0.564902 0.979846 H\n0.564902 0.176158 0.979846 H\n0.823842 0.435098 0.020154 H\n0.435098 0.823842 0.020154 H\n0.174212 0.737904 0.770457 H\n0.737904 0.174212 0.770457 H\n0.825788 0.262096 0.229543 H\n0.262096 0.825788 0.229543 H\n0.844290 0.844290 0.887035 O\n0.155710 0.155710 0.112965 O\n0.602955 0.602955 0.216796 O\n0.397045 0.397045 0.783204 O\n0.759225 0.560217 0.729541 O\n0.560217 0.759225 0.729541 O\n0.240775 0.439783 0.270459 O\n0.439783 0.240775 0.270459 O\n0.978337 0.211860 0.692289 O\n0.211860 0.978337 0.692289 O\n0.021663 0.788140 0.307711 O\n0.788140 0.021663 0.307711 O\n0.170711 0.617640 0.774780 O\n0.617640 0.170711 0.774780 O\n0.829289 0.382360 0.225220 O\n0.382360 0.829289 0.225220 O\n",
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{
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"structure_string": "Zn2 H28 C4 N20 Cl4 O28\n1.0\n6.641383 0.000000 -4.874217\n-6.549513 0.000000 -5.689014\n0.000000 12.931434 0.000000\nZn H C N Cl O\n2 28 4 20 4 28\ndirect\n0.500000 0.500000 0.000000 Zn\n0.000000 0.000000 0.500000 Zn\n0.477604 0.143189 0.813120 H\n0.022396 0.356811 0.313120 H\n0.522396 0.856811 0.186880 H\n0.977604 0.643189 0.686880 H\n0.304322 0.930774 0.903701 H\n0.195678 0.569226 0.403701 H\n0.695678 0.069226 0.096299 H\n0.804322 0.430774 0.596299 H\n0.630875 0.404809 0.829820 H\n0.869125 0.095191 0.329820 H\n0.369125 0.595191 0.170180 H\n0.130875 0.904809 0.670180 H\n0.203825 0.975618 0.017309 H\n0.296175 0.524382 0.517308 H\n0.796175 0.024382 0.982692 H\n0.703825 0.475618 0.482691 H\n0.441354 0.419128 0.795437 H\n0.058646 0.080872 0.295437 H\n0.558646 0.580872 0.204563 H\n0.941354 0.919128 0.704563 H\n0.750792 0.412221 0.114485 H\n0.749208 0.087779 0.614485 H\n0.249208 0.587779 0.885515 H\n0.250792 0.912221 0.385515 H\n0.791148 0.398616 0.997957 H\n0.708852 0.101384 0.497957 H\n0.208852 0.601384 0.002043 H\n0.291148 0.898616 0.502043 H\n0.349710 0.163480 0.948958 C\n0.150290 0.336520 0.448958 C\n0.650290 0.836520 0.051042 C\n0.849710 0.663480 0.551042 C\n0.508916 0.381709 0.853604 N\n0.991084 0.118291 0.353604 N\n0.491084 0.618291 0.146396 N\n0.008916 0.881709 0.646396 N\n0.454425 0.217821 0.869735 N\n0.045575 0.282179 0.369735 N\n0.545575 0.782179 0.130265 N\n0.954425 0.717821 0.630265 N\n0.288788 0.009598 0.959453 N\n0.211212 0.490402 0.459453 N\n0.711212 0.990402 0.040547 N\n0.788788 0.509598 0.540547 N\n0.322340 0.279620 0.013435 N\n0.177660 0.220380 0.513435 N\n0.677660 0.720380 0.986565 N\n0.822340 0.779620 0.486565 N\n0.201857 0.250031 0.086958 N\n0.298143 0.249969 0.586958 N\n0.798143 0.749969 0.913042 N\n0.701857 0.750031 0.413042 N\n0.518951 0.171340 0.297068 Cl\n0.981049 0.328660 0.797068 Cl\n0.481049 0.828660 0.702932 Cl\n0.018951 0.671340 0.202932 Cl\n0.179482 0.369220 0.134161 O\n0.320518 0.130780 0.634161 O\n0.820518 0.630780 0.865839 O\n0.679482 0.869220 0.365839 O\n0.118439 0.113975 0.105955 O\n0.381561 0.386025 0.605955 O\n0.881561 0.886025 0.894045 O\n0.618439 0.613975 0.394045 O\n0.699112 0.374504 0.047910 O\n0.800888 0.125496 0.547910 O\n0.300888 0.625496 0.952090 O\n0.199112 0.874504 0.452090 O\n0.389861 0.026751 0.279384 O\n0.110139 0.473249 0.779384 O\n0.610139 0.973249 0.720616 O\n0.889861 0.526751 0.220616 O\n0.460485 0.306802 0.259416 O\n0.039515 0.193198 0.759416 O\n0.539515 0.693198 0.740584 O\n0.960485 0.806802 0.240584 O\n0.556824 0.190031 0.407531 O\n0.943176 0.309969 0.907531 O\n0.443176 0.809969 0.592469 O\n0.056824 0.690031 0.092469 O\n0.670126 0.156669 0.240843 O\n0.829874 0.343331 0.740843 O\n0.329874 0.843331 0.759157 O\n0.170126 0.656669 0.259157 O\n",
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"formula_full": "Zn2 H28 C4 N20 Cl4 O28",
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"spacegroup": 14
},
{
"id": "mp-1026827",
"created_at": "2022-09-04T14:46:57.650316Z",
"structure_string": "K1 Mg14 B1\n1.0\n6.368279 0.000000 -0.000000\n-3.184140 5.515091 -0.000000\n-0.000000 -0.000000 10.580103\nK Mg B\n1 14 1\ndirect\n0.166667 0.333333 0.125000 K\n0.175198 0.837598 0.125000 Mg\n0.157793 0.828896 0.625000 Mg\n0.662402 0.324802 0.125000 Mg\n0.671104 0.342207 0.625000 Mg\n0.662402 0.837598 0.125000 Mg\n0.671104 0.828896 0.625000 Mg\n0.330043 0.169957 0.403264 Mg\n0.330043 0.169957 0.846736 Mg\n0.330043 0.660087 0.403264 Mg\n0.330043 0.660087 0.846736 Mg\n0.839913 0.169957 0.403264 Mg\n0.839913 0.169957 0.846736 Mg\n0.833333 0.666667 0.365859 Mg\n0.833333 0.666667 0.884141 Mg\n0.166667 0.333333 0.625000 B\n",
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"elements": [
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{
"id": "mp-1096865",
"created_at": "2022-09-04T14:46:57.659394Z",
"structure_string": "Al4 Fe8 B4 O20\n1.0\n2.964518 0.000000 0.000000\n0.000000 9.668724 0.000000\n0.000000 0.000000 12.278480\nAl Fe B O\n4 8 4 20\ndirect\n0.000000 0.742322 0.384092 Al\n0.000000 0.257678 0.615908 Al\n0.000000 0.242322 0.115908 Al\n0.000000 0.757678 0.884092 Al\n0.500000 0.495689 0.225699 Fe\n0.500000 0.504311 0.774301 Fe\n0.500000 0.995689 0.274301 Fe\n0.500000 0.004311 0.725699 Fe\n0.500000 0.500000 0.500000 Fe\n0.500000 0.000000 0.000000 Fe\n0.000000 0.000000 0.500000 Fe\n0.000000 0.500000 0.000000 Fe\n0.000000 0.762775 0.136571 B\n0.000000 0.237225 0.863429 B\n0.000000 0.262775 0.363429 B\n0.000000 0.737225 0.636571 B\n0.000000 0.836465 0.038705 O\n0.000000 0.163535 0.961295 O\n0.000000 0.336465 0.461295 O\n0.000000 0.663535 0.538705 O\n0.500000 0.618767 0.358315 O\n0.500000 0.381233 0.641685 O\n0.500000 0.118767 0.141685 O\n0.500000 0.881233 0.858315 O\n0.000000 0.620055 0.137190 O\n0.000000 0.379945 0.862810 O\n0.000000 0.120055 0.362810 O\n0.000000 0.879945 0.637190 O\n0.500000 0.868980 0.415448 O\n0.500000 0.131020 0.584552 O\n0.500000 0.368980 0.084552 O\n0.500000 0.631020 0.915448 O\n0.000000 0.831204 0.236424 O\n0.000000 0.168796 0.763576 O\n0.000000 0.331204 0.263576 O\n0.000000 0.668796 0.736424 O\n",
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{
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"structure_string": "Cr2 Hg1 S4\n1.0\n3.584455 0.000000 0.000000\n0.000000 6.030998 0.000000\n0.000000 1.485131 6.725468\nCr Hg S\n2 1 4\ndirect\n0.500000 0.000000 0.500000 Cr\n0.000000 0.500000 0.500000 Cr\n0.000000 0.500000 0.000000 Hg\n0.000000 0.791159 0.686631 S\n0.500000 0.290927 0.693495 S\n0.500000 0.709073 0.306505 S\n0.000000 0.208841 0.313369 S\n",
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{
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"structure_string": "Yb8 Ni60 B36\n1.0\n5.771810 -7.879496 0.000000\n5.771810 7.879496 0.000000\n0.000000 0.000000 11.193061\nYb Ni B\n8 60 36\ndirect\n0.261128 0.261128 0.459880 Yb\n0.738872 0.738872 0.540120 Yb\n0.694517 0.194517 0.250000 Yb\n0.194517 0.694517 0.250000 Yb\n0.305483 0.805483 0.750000 Yb\n0.761128 0.761128 0.040120 Yb\n0.805483 0.305483 0.750000 Yb\n0.238872 0.238872 0.959880 Yb\n0.006974 0.815172 0.660267 Ni\n0.162916 0.635631 0.971070 Ni\n0.067459 0.567459 0.750000 Ni\n0.635631 0.162916 0.971070 Ni\n0.009852 0.169149 0.806763 Ni\n0.530749 0.742550 0.902991 Ni\n0.509852 0.669149 0.693237 Ni\n0.392044 0.053651 0.914906 Ni\n0.493026 0.684828 0.160267 Ni\n0.271395 0.503648 0.616875 Ni\n0.496352 0.728605 0.383125 Ni\n0.669149 0.509852 0.693237 Ni\n0.742550 0.530749 0.902991 Ni\n0.315172 0.506974 0.839733 Ni\n0.364369 0.837084 0.028930 Ni\n0.607956 0.946349 0.085094 Ni\n0.490148 0.330851 0.306763 Ni\n0.684828 0.493026 0.160267 Ni\n0.228605 0.996352 0.116875 Ni\n0.553651 0.892044 0.585094 Ni\n0.757450 0.969251 0.402991 Ni\n0.184828 0.993026 0.339733 Ni\n0.107956 0.446349 0.414906 Ni\n0.469251 0.257450 0.097009 Ni\n0.990148 0.830851 0.193237 Ni\n0.000000 0.000000 0.500000 Ni\n0.330851 0.490148 0.306763 Ni\n0.506974 0.315172 0.839733 Ni\n0.446349 0.107956 0.414906 Ni\n0.932541 0.432541 0.250000 Ni\n0.235262 0.235262 0.212974 Ni\n0.500000 0.500000 0.500000 Ni\n0.337084 0.864369 0.471070 Ni\n0.169149 0.009852 0.806763 Ni\n0.946349 0.607956 0.085094 Ni\n0.503648 0.271395 0.616875 Ni\n0.969251 0.757450 0.402991 Ni\n0.003648 0.771395 0.883125 Ni\n0.735262 0.735262 0.287026 Ni\n0.837084 0.364369 0.028930 Ni\n0.764738 0.764738 0.787026 Ni\n0.830851 0.990148 0.193237 Ni\n0.500000 0.500000 0.000000 Ni\n0.996352 0.228605 0.116875 Ni\n0.053651 0.392044 0.914906 Ni\n0.728605 0.496352 0.383125 Ni\n0.567459 0.067459 0.750000 Ni\n0.030749 0.242550 0.597009 Ni\n0.815172 0.006974 0.660267 Ni\n0.993026 0.184828 0.339733 Ni\n0.242550 0.030749 0.597009 Ni\n0.892044 0.553651 0.585094 Ni\n0.000000 0.000000 0.000000 Ni\n0.257450 0.469251 0.097009 Ni\n0.432541 0.932541 0.250000 Ni\n0.864369 0.337084 0.471070 Ni\n0.662916 0.135631 0.528930 Ni\n0.264738 0.264738 0.712974 Ni\n0.771395 0.003648 0.883125 Ni\n0.135631 0.662916 0.528930 Ni\n0.797768 0.094325 0.051262 B\n0.865561 0.134439 0.500000 B\n0.450278 0.048470 0.598571 B\n0.878373 0.620286 0.756011 B\n0.621627 0.879714 0.256011 B\n0.379714 0.121627 0.243989 B\n0.378373 0.120286 0.743989 B\n0.048470 0.450278 0.598571 B\n0.905675 0.202232 0.948738 B\n0.543689 0.543689 0.827250 B\n0.134439 0.865561 0.500000 B\n0.451530 0.049722 0.098571 B\n0.634439 0.365561 0.000000 B\n0.120286 0.378373 0.743989 B\n0.557873 0.557873 0.300899 B\n0.950278 0.548470 0.901429 B\n0.405675 0.702232 0.551262 B\n0.121627 0.379714 0.243989 B\n0.549722 0.951530 0.401429 B\n0.442127 0.442127 0.699101 B\n0.702232 0.405675 0.551262 B\n0.951530 0.549722 0.401429 B\n0.620286 0.878373 0.756011 B\n0.594325 0.297768 0.448738 B\n0.057873 0.057873 0.199101 B\n0.456311 0.456311 0.172750 B\n0.202232 0.905675 0.948738 B\n0.956311 0.956311 0.327250 B\n0.365561 0.634439 0.000000 B\n0.049722 0.451530 0.098571 B\n0.942127 0.942127 0.800899 B\n0.297768 0.594325 0.448738 B\n0.879714 0.621627 0.256011 B\n0.548470 0.950278 0.901429 B\n0.043689 0.043689 0.672750 B\n0.094325 0.797768 0.051262 B\n",
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{
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}