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{
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{
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{
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"spacegroup": 61
},
{
"id": "mp-1111545",
"created_at": "2022-09-04T14:47:10.590312Z",
"structure_string": "Na2 Al1 Ag1 Cl6\n1.0\n0.000000 5.022591 5.022591\n5.022591 0.000000 5.022591\n5.022591 5.022591 0.000000\nNa Al Ag Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Ag\n0.767377 0.232623 0.232623 Cl\n0.232623 0.232623 0.767377 Cl\n0.232623 0.767377 0.767377 Cl\n0.232623 0.767377 0.232623 Cl\n0.767377 0.232623 0.767377 Cl\n0.767377 0.767377 0.232623 Cl\n",
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{
"id": "mp-1180596",
"created_at": "2022-09-04T14:47:13.844646Z",
"structure_string": "Li4 C1 O4\n1.0\n2.798784 3.805383 0.000000\n-2.798784 3.805383 0.000000\n0.000000 1.716001 4.273206\nLi C O\n4 1 4\ndirect\n0.647778 0.647778 0.530163 Li\n0.136927 0.650577 0.055978 Li\n0.650577 0.136927 0.055978 Li\n0.241416 0.241416 0.706091 Li\n0.041328 0.041328 0.438505 C\n0.225120 0.225120 0.187699 O\n0.819191 0.232523 0.626631 O\n0.232523 0.819191 0.626631 O\n0.902669 0.902669 0.314114 O\n",
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{
"id": "mp-1201462",
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"structure_string": "H48 Au8 C24 O16\n1.0\n8.365328 0.000000 0.000000\n0.000000 11.688172 0.000000\n-3.301378 0.000000 12.113857\nH Au C O\n48 8 24 16\ndirect\n0.915454 0.175178 0.861711 H\n0.084546 0.675178 0.638289 H\n0.084546 0.824822 0.138289 H\n0.915454 0.324822 0.361711 H\n0.110878 0.117196 0.850337 H\n0.889122 0.617196 0.649663 H\n0.889122 0.882804 0.149663 H\n0.110878 0.382804 0.350337 H\n0.071787 0.269245 0.837173 H\n0.928213 0.769245 0.662827 H\n0.928213 0.730755 0.162827 H\n0.071787 0.230755 0.337173 H\n0.856231 0.371443 0.664275 H\n0.143769 0.871443 0.835725 H\n0.143769 0.628557 0.335725 H\n0.856231 0.128557 0.164275 H\n0.684100 0.292009 0.578141 H\n0.315900 0.792009 0.921859 H\n0.315900 0.707991 0.421859 H\n0.684100 0.207991 0.078141 H\n0.723803 0.291719 0.726625 H\n0.276197 0.791719 0.773375 H\n0.276197 0.708281 0.273375 H\n0.723803 0.208281 0.226625 H\n0.636330 0.889084 0.912479 H\n0.363670 0.389084 0.587521 H\n0.363670 0.110916 0.087521 H\n0.636330 0.610916 0.412479 H\n0.770999 0.851812 0.827320 H\n0.229001 0.351812 0.672680 H\n0.229001 0.148188 0.172680 H\n0.770999 0.648188 0.327320 H\n0.812304 0.977845 0.913464 H\n0.187696 0.477845 0.586536 H\n0.187696 0.022155 0.086536 H\n0.812304 0.522155 0.413464 H\n0.618083 0.168087 0.884333 H\n0.381917 0.668087 0.615667 H\n0.381917 0.831913 0.115667 H\n0.618083 0.331913 0.384333 H\n0.409958 0.169107 0.795265 H\n0.590042 0.669107 0.704735 H\n0.590042 0.830893 0.204735 H\n0.409958 0.330893 0.295265 H\n0.469585 0.064660 0.904625 H\n0.530415 0.564660 0.595375 H\n0.530415 0.935340 0.095375 H\n0.469585 0.435340 0.404625 H\n0.928739 0.155138 0.656212 Au\n0.071261 0.655138 0.843788 Au\n0.071261 0.844862 0.343788 Au\n0.928739 0.344862 0.156212 Au\n0.576146 0.012264 0.731427 Au\n0.423854 0.512264 0.768573 Au\n0.423854 0.987736 0.268573 Au\n0.576146 0.487736 0.231427 Au\n0.933575 0.029592 0.452947 C\n0.066425 0.529592 0.047053 C\n0.066425 0.970408 0.547053 C\n0.933575 0.470408 0.952947 C\n0.556196 0.946171 0.504509 C\n0.443804 0.446171 0.995491 C\n0.443804 0.053829 0.495491 C\n0.556196 0.553829 0.004509 C\n0.016828 0.183786 0.822133 C\n0.983172 0.683786 0.677867 C\n0.983172 0.816214 0.177867 C\n0.016828 0.316214 0.322133 C\n0.779660 0.294355 0.657025 C\n0.220340 0.794355 0.842975 C\n0.220340 0.705645 0.342975 C\n0.779660 0.205645 0.157025 C\n0.715860 0.922493 0.863002 C\n0.284140 0.422493 0.636998 C\n0.284140 0.077507 0.136998 C\n0.715860 0.577507 0.363002 C\n0.510869 0.115652 0.843703 C\n0.489131 0.615652 0.656297 C\n0.489131 0.884348 0.156297 C\n0.510869 0.384348 0.343703 C\n0.851134 0.112087 0.478636 O\n0.148866 0.612087 0.021364 O\n0.148866 0.887913 0.521364 O\n0.851134 0.387913 0.978636 O\n0.086643 0.006902 0.644913 O\n0.913357 0.506902 0.855087 O\n0.913357 0.993098 0.355087 O\n0.086643 0.493098 0.144913 O\n0.432240 0.101416 0.584116 O\n0.567760 0.601416 0.915884 O\n0.567760 0.898584 0.415884 O\n0.432240 0.398584 0.084116 O\n0.632026 0.910298 0.600064 O\n0.367974 0.410298 0.899936 O\n0.367974 0.089702 0.399936 O\n0.632026 0.589702 0.100064 O\n",
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{
"id": "mp-1048025",
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"structure_string": "Ba2 Ti3 Al1 O7\n1.0\n3.923220 0.000000 0.000000\n0.000000 3.979772 0.000000\n0.000000 0.000000 11.500746\nBa Ti Al O\n2 3 1 7\ndirect\n0.500000 0.500000 0.818858 Ba\n0.500000 0.500000 0.181142 Ba\n0.000000 0.000000 0.624852 Ti\n0.000000 0.000000 0.375148 Ti\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500000 0.500000 Al\n0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.621231 O\n0.500000 0.000000 0.378769 O\n0.000000 0.500000 0.619521 O\n0.000000 0.500000 0.380479 O\n0.000000 0.000000 0.828163 O\n0.000000 0.000000 0.171837 O\n",
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{
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"structure_string": "Ta2 Ir6\n1.0\n2.794240 -4.839766 0.000000\n2.794240 4.839766 0.000000\n0.000000 0.000000 4.489474\nTa Ir\n2 6\ndirect\n0.333333 0.666667 0.750000 Ta\n0.666667 0.333333 0.250000 Ta\n0.163898 0.327797 0.250000 Ir\n0.672203 0.836102 0.250000 Ir\n0.163898 0.836102 0.250000 Ir\n0.836102 0.672203 0.750000 Ir\n0.327797 0.163898 0.750000 Ir\n0.836102 0.163898 0.750000 Ir\n",
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{
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{
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"structure_string": "Sr8 Li4 Si12\n1.0\n0.000000 7.416826 9.127809\n4.267136 0.000000 9.127809\n4.267136 7.416826 0.000000\nSr Li Si\n8 4 12\ndirect\n0.124086 0.124086 0.875914 Sr\n0.875915 0.875915 0.124085 Sr\n0.125915 0.125915 0.374085 Sr\n0.374086 0.374086 0.125914 Sr\n0.624328 0.624329 0.375672 Sr\n0.375672 0.375672 0.624328 Sr\n0.625672 0.625672 0.874328 Sr\n0.874329 0.874329 0.625671 Sr\n0.082774 0.417226 0.082774 Li\n0.832774 0.167226 0.832774 Li\n0.167226 0.832774 0.167226 Li\n0.417226 0.082774 0.417226 Li\n0.913589 0.592080 0.425613 Si\n0.068718 0.425613 0.592080 Si\n0.425613 0.068718 0.913589 Si\n0.592080 0.913589 0.068718 Si\n0.336411 0.657920 0.824387 Si\n0.657920 0.336411 0.181282 Si\n0.824387 0.181282 0.336411 Si\n0.181282 0.824387 0.657920 Si\n0.911266 0.588735 0.911265 Si\n0.588735 0.911266 0.588734 Si\n0.338735 0.661266 0.338735 Si\n0.661265 0.338735 0.661265 Si\n",
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{
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},
{
"id": "mp-1221337",
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{
"id": "mp-1228692",
"created_at": "2022-09-04T14:47:10.610535Z",
"structure_string": "Ba1 Ca1 Zr8 P12 O48\n1.0\n8.917607 0.000000 0.000000\n-0.001085 9.362862 0.000000\n-0.000140 -0.861257 12.900433\nBa Ca Zr P O\n1 1 8 12 48\ndirect\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.000000 Ca\n0.000253 0.715703 0.641035 Zr\n0.499673 0.218160 0.142143 Zr\n0.999747 0.284297 0.358965 Zr\n0.500327 0.781840 0.857857 Zr\n0.498893 0.198601 0.653568 Zr\n0.001230 0.702637 0.145898 Zr\n0.501107 0.801399 0.346432 Zr\n0.998770 0.297363 0.854102 Zr\n0.210773 0.997164 0.759185 P\n0.714752 0.500858 0.252924 P\n0.639264 0.850773 0.606241 P\n0.136785 0.349078 0.107326 P\n0.147287 0.639806 0.391896 P\n0.651315 0.134149 0.896207 P\n0.789227 0.002836 0.240815 P\n0.285248 0.499142 0.747076 P\n0.360736 0.149227 0.393759 P\n0.863215 0.650922 0.892674 P\n0.852713 0.360194 0.608104 P\n0.348685 0.865851 0.103793 P\n0.373093 0.028779 0.111945 O\n0.868718 0.524435 0.612879 O\n0.688017 0.090075 0.172389 O\n0.190057 0.583208 0.672230 O\n0.440011 0.218957 0.303850 O\n0.939847 0.711469 0.798630 O\n0.626907 0.971221 0.888055 O\n0.131282 0.475565 0.387121 O\n0.311983 0.909925 0.827611 O\n0.809943 0.416792 0.327770 O\n0.559989 0.781043 0.696150 O\n0.060153 0.288531 0.201370 O\n0.062375 0.708397 0.486016 O\n0.565259 0.207205 0.988004 O\n0.125371 0.898677 0.679420 O\n0.628395 0.399474 0.176079 O\n0.810317 0.834738 0.614072 O\n0.308226 0.335573 0.113679 O\n0.937625 0.291603 0.513984 O\n0.434741 0.792795 0.011996 O\n0.874629 0.101323 0.320580 O\n0.371605 0.600526 0.823921 O\n0.189683 0.165262 0.385928 O\n0.691774 0.664427 0.886321 O\n0.903116 0.918704 0.167691 O\n0.399998 0.406797 0.681076 O\n0.415433 0.224120 0.498132 O\n0.921326 0.740919 0.990801 O\n0.683047 0.322701 0.597437 O\n0.176668 0.839804 0.088053 O\n0.096884 0.081296 0.832309 O\n0.600002 0.593203 0.318924 O\n0.584567 0.775880 0.501868 O\n0.078674 0.259081 0.009199 O\n0.316953 0.677299 0.402563 O\n0.823332 0.160196 0.911947 O\n0.305251 0.104901 0.700850 O\n0.811880 0.602734 0.191459 O\n0.599186 0.011036 0.605847 O\n0.096387 0.509133 0.099031 O\n0.600194 0.200872 0.795845 O\n0.088341 0.702218 0.291657 O\n0.694749 0.895099 0.299150 O\n0.188120 0.397266 0.808541 O\n0.400814 0.988964 0.394153 O\n0.903613 0.490867 0.900969 O\n0.399806 0.799128 0.204155 O\n0.911659 0.297782 0.708343 O\n",
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}
]
}