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{
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{
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"structure_string": "Ca4 Sn4 O8\n1.0\n3.488510 0.000000 0.000000\n1.729425 8.789644 0.000000\n1.449688 0.319545 10.092015\nCa Sn O\n4 4 8\ndirect\n0.331573 0.249833 0.070958 Ca\n0.644629 0.777036 0.909211 Ca\n0.039268 0.148424 0.743181 Ca\n0.951332 0.879508 0.236685 Ca\n0.635640 0.548177 0.198835 Sn\n0.232458 0.214293 0.397925 Sn\n0.789197 0.812945 0.581902 Sn\n0.364552 0.478741 0.781605 Sn\n0.840995 0.605177 0.691958 O\n0.492127 0.738041 0.306453 O\n0.498558 0.289510 0.672636 O\n0.163938 0.422551 0.288287 O\n0.077253 0.814058 0.031618 O\n0.802651 0.145424 0.267941 O\n0.897612 0.221195 0.946369 O\n0.213536 0.883114 0.710527 O\n",
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{
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"structure_string": "K4 U4 Si8 O28\n1.0\n9.258786 0.000000 0.000000\n0.000000 9.258786 0.000000\n0.000000 0.000000 8.359314\nK U Si O\n4 4 8 28\ndirect\n0.178770 0.321230 0.500000 K\n0.321230 0.821230 0.500000 K\n0.821230 0.678770 0.500000 K\n0.678770 0.178770 0.500000 K\n0.000000 0.000000 0.750414 U\n0.500000 0.500000 0.750414 U\n0.000000 0.000000 0.249586 U\n0.500000 0.500000 0.249586 U\n0.119834 0.619834 0.805598 Si\n0.380166 0.119834 0.194402 Si\n0.619834 0.880166 0.805598 Si\n0.119834 0.619834 0.194402 Si\n0.380166 0.119834 0.805598 Si\n0.619834 0.880166 0.194402 Si\n0.880166 0.380166 0.805598 Si\n0.880166 0.380166 0.194402 Si\n0.878464 0.378464 0.000000 O\n0.276135 0.572968 0.732636 O\n0.572968 0.723865 0.267364 O\n0.500000 0.500000 0.000000 O\n0.121536 0.621536 0.000000 O\n0.927032 0.223865 0.732636 O\n0.572968 0.723865 0.732636 O\n0.072968 0.776135 0.732636 O\n0.500000 0.000000 0.742204 O\n0.000000 0.500000 0.257796 O\n0.000000 0.500000 0.742204 O\n0.621536 0.878464 0.000000 O\n0.723865 0.427032 0.267364 O\n0.776135 0.927032 0.267364 O\n0.223865 0.072968 0.267364 O\n0.378464 0.121536 0.000000 O\n0.427032 0.276135 0.732636 O\n0.500000 0.000000 0.257796 O\n0.776135 0.927032 0.732636 O\n0.927032 0.223865 0.267364 O\n0.223865 0.072968 0.732636 O\n0.723865 0.427032 0.732636 O\n0.276135 0.572968 0.267364 O\n0.427032 0.276135 0.267364 O\n0.000000 0.000000 0.500000 O\n0.072968 0.776135 0.267364 O\n0.000000 0.000000 0.000000 O\n0.500000 0.500000 0.500000 O\n",
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"formula_full": "K4 U4 Si8 O28",
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{
"id": "mp-628726",
"created_at": "2022-09-04T14:47:19.923137Z",
"structure_string": "Sr2 Al4 Cl16\n1.0\n7.107949 0.000000 0.000000\n0.000000 7.395313 0.000000\n0.000000 1.027042 12.898630\nSr Al Cl\n2 4 16\ndirect\n0.155857 0.500000 0.250000 Sr\n0.844143 0.500000 0.750000 Sr\n0.262846 0.684007 0.578927 Al\n0.737154 0.684007 0.078927 Al\n0.737154 0.315993 0.421073 Al\n0.262846 0.315993 0.921073 Al\n0.521427 0.747895 0.654250 Cl\n0.305031 0.744095 0.414592 Cl\n0.819803 0.404418 0.113406 Cl\n0.180197 0.595582 0.886594 Cl\n0.478573 0.252105 0.345750 Cl\n0.305031 0.255905 0.085408 Cl\n0.694969 0.255905 0.585408 Cl\n0.478573 0.747895 0.154250 Cl\n0.180197 0.404418 0.613406 Cl\n0.521427 0.252105 0.845750 Cl\n0.819803 0.595582 0.386594 Cl\n0.967811 0.835940 0.136371 Cl\n0.694969 0.744095 0.914592 Cl\n0.032189 0.164060 0.863629 Cl\n0.967811 0.164060 0.363629 Cl\n0.032189 0.835940 0.636371 Cl\n",
"nsites": 22,
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"elements": [
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"density": 2.082740343130919,
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"volume": 678.0230338497063,
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"formula_full": "Sr2 Al4 Cl16",
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"formula_anonymous": "AB2C8",
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"spacegroup": 13
},
{
"id": "mp-991566",
"created_at": "2022-09-04T14:47:19.923167Z",
"structure_string": "Y7 Fe1 I12\n1.0\n-9.027171 0.000000 0.000000\n0.000000 -12.766347 0.000000\n0.000000 6.383174 11.055981\nY Fe I\n7 1 12\ndirect\n0.709637 0.021936 0.930334 Y\n0.978064 0.091602 0.801239 Y\n0.500000 0.500000 0.000000 Y\n0.091602 0.709637 0.731572 Y\n0.290363 0.978064 0.069666 Y\n0.908398 0.290363 0.268428 Y\n0.021936 0.908398 0.198761 Y\n0.000000 0.000000 0.000000 Fe\n0.072703 0.772319 0.450517 I\n0.386581 0.840824 0.305099 I\n0.613419 0.159176 0.694901 I\n0.227681 0.321802 0.394505 I\n0.772319 0.678198 0.605495 I\n0.678198 0.927297 0.154977 I\n0.535725 0.386581 0.227404 I\n0.840824 0.464275 0.077695 I\n0.927297 0.227681 0.549483 I\n0.321802 0.072703 0.845023 I\n0.464275 0.613419 0.772596 I\n0.159176 0.535725 0.922305 I\n",
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"formula_full": "Y7 Fe1 I12",
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{
"id": "mp-560848",
"created_at": "2022-09-04T14:47:19.930190Z",
"structure_string": "Ag4 Sb4 Pb4 S12\n1.0\n12.902129 0.000000 0.000000\n0.000000 6.070778 0.000000\n0.000000 0.137051 7.696653\nAg Sb Pb S\n4 4 4 12\ndirect\n0.739503 0.782043 0.877150 Ag\n0.260497 0.217957 0.122850 Ag\n0.239503 0.217957 0.622850 Ag\n0.760497 0.782043 0.377150 Ag\n0.910694 0.267135 0.636430 Sb\n0.410694 0.732865 0.863570 Sb\n0.089306 0.732865 0.363570 Sb\n0.589306 0.267135 0.136430 Sb\n0.584585 0.255700 0.646785 Pb\n0.915415 0.255700 0.146785 Pb\n0.084585 0.744300 0.853215 Pb\n0.415415 0.744300 0.353215 Pb\n0.557339 0.734924 0.649482 S\n0.626219 0.866957 0.137531 S\n0.942661 0.734924 0.149482 S\n0.442661 0.265076 0.350518 S\n0.873781 0.866957 0.637531 S\n0.373781 0.133043 0.862469 S\n0.057339 0.265076 0.850518 S\n0.278524 0.648710 0.638378 S\n0.221476 0.648710 0.138378 S\n0.778524 0.351290 0.861622 S\n0.126219 0.133043 0.362469 S\n0.721476 0.351290 0.361622 S\n",
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{
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"structure_string": "Th1 Fe4 P12\n1.0\n-3.902314 3.902314 3.902314\n3.902314 -3.902314 3.902314\n3.902314 3.902314 -3.902314\nTh Fe P\n1 4 12\ndirect\n0.000000 0.000000 0.000000 Th\n0.000000 0.000000 0.500000 Fe\n0.000000 0.500000 0.000000 Fe\n0.500000 0.000000 0.000000 Fe\n0.500000 0.500000 0.500000 Fe\n0.847773 0.648714 0.496488 P\n0.847773 0.351286 0.199059 P\n0.152227 0.648714 0.800941 P\n0.351286 0.503512 0.152227 P\n0.503512 0.152227 0.351286 P\n0.152227 0.351286 0.503512 P\n0.648714 0.800941 0.152227 P\n0.199059 0.847773 0.351286 P\n0.648714 0.496488 0.847773 P\n0.800941 0.152227 0.648714 P\n0.351286 0.199059 0.847773 P\n0.496488 0.847773 0.648714 P\n",
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{
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"structure_string": "Li8 V4 P8 O28\n1.0\n5.364884 -0.036198 -0.125195\n0.503235 9.270750 8.050254\n-1.035724 -3.599139 8.058217\nLi V P O\n8 4 8 28\ndirect\n0.811270 0.401264 0.584435 Li\n0.311184 0.901254 0.084360 Li\n0.688816 0.098741 0.915654 Li\n0.188715 0.598726 0.415589 Li\n0.215358 0.111117 0.636105 Li\n0.715341 0.611189 0.136043 Li\n0.284647 0.388818 0.863959 Li\n0.784657 0.888882 0.363896 Li\n0.293236 0.797773 0.568318 V\n0.706781 0.202196 0.431662 V\n0.793254 0.298026 0.068376 V\n0.206811 0.701977 0.931613 V\n0.157158 0.070271 0.314731 P\n0.657132 0.570261 0.814680 P\n0.342873 0.429738 0.185320 P\n0.842858 0.929728 0.685275 P\n0.260614 0.351612 0.528857 P\n0.760542 0.851618 0.028820 P\n0.239452 0.148387 0.971179 P\n0.739392 0.648391 0.471141 P\n0.614768 0.445961 0.892318 O\n0.114812 0.945969 0.392325 O\n0.885199 0.054029 0.607682 O\n0.385222 0.554038 0.107687 O\n0.908092 0.145088 0.264359 O\n0.408071 0.645077 0.764330 O\n0.591925 0.354922 0.235672 O\n0.091905 0.854910 0.735637 O\n0.047241 0.271186 0.527692 O\n0.547087 0.771216 0.027685 O\n0.452898 0.228790 0.972318 O\n0.952755 0.728817 0.472315 O\n0.974995 0.208605 0.923648 O\n0.474888 0.708550 0.423605 O\n0.525105 0.291448 0.576396 O\n0.024996 0.791396 0.076349 O\n0.294416 0.066884 0.876170 O\n0.794474 0.566908 0.376101 O\n0.205513 0.433095 0.623891 O\n0.705580 0.933123 0.123827 O\n0.140051 0.381939 0.089826 O\n0.640049 0.881929 0.589767 O\n0.359959 0.118080 0.410226 O\n0.859942 0.618068 0.910168 O\n0.247019 0.438142 0.349685 O\n0.746953 0.938134 0.849621 O\n0.253033 0.061866 0.150375 O\n0.752961 0.561859 0.650311 O\n",
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{
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},
{
"id": "mp-36966",
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"structure_string": "Na2 Sm4 Se6\n1.0\n6.255974 3.653913 0.000000\n-6.255974 3.653913 0.000000\n0.000000 2.430885 6.829842\nNa Sm Se\n2 4 6\ndirect\n0.416862 0.583138 0.750000 Na\n0.583138 0.416862 0.250000 Na\n0.749361 0.250639 0.750000 Sm\n0.083321 0.916679 0.750000 Sm\n0.916679 0.083321 0.250000 Sm\n0.250639 0.749361 0.250000 Sm\n0.163180 0.331288 0.501723 Se\n0.836820 0.668712 0.498277 Se\n0.668712 0.836820 0.998277 Se\n0.500000 0.000000 0.500000 Se\n0.331288 0.163180 0.001723 Se\n0.000000 0.500000 0.000000 Se\n",
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"formula_full": "Na2 Sm4 Se6",
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{
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"structure_string": "Cs4 Zr2 O6\n1.0\n3.916881 -5.744649 0.000000\n3.916881 5.744649 0.000000\n0.000000 0.000000 6.024382\nCs Zr O\n4 2 6\ndirect\n0.191321 0.517000 0.750000 Cs\n0.808679 0.483000 0.250000 Cs\n0.483000 0.808679 0.250000 Cs\n0.517000 0.191321 0.750000 Cs\n0.916852 0.916852 0.750000 Zr\n0.083148 0.083148 0.250000 Zr\n0.331413 0.331413 0.250000 O\n0.668587 0.668587 0.750000 O\n0.882145 0.117855 0.500000 O\n0.882145 0.117855 0.000000 O\n0.117855 0.882145 0.500000 O\n0.117855 0.882145 0.000000 O\n",
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{
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"structure_string": "Mo4 N10 Cl18 O2\n1.0\n5.548391 -6.803408 0.000000\n5.548392 6.803408 0.000000\n0.000000 0.000000 14.267886\nMo N Cl O\n4 10 18 2\ndirect\n0.025815 0.974185 0.941393 Mo\n0.974185 0.025815 0.441393 Mo\n0.254969 0.745031 0.211368 Mo\n0.745031 0.254969 0.711368 Mo\n0.552426 0.447574 0.158221 N\n0.447574 0.552426 0.658221 N\n0.723958 0.802272 0.215771 N\n0.197728 0.276042 0.215771 N\n0.276042 0.197728 0.715771 N\n0.802272 0.723958 0.715771 N\n0.434538 0.031283 0.420065 N\n0.968717 0.565462 0.420065 N\n0.565462 0.968717 0.920065 N\n0.031283 0.434538 0.920065 N\n0.892418 0.107582 0.046207 Cl\n0.107582 0.892418 0.546207 Cl\n0.254077 0.148825 0.973015 Cl\n0.851175 0.745923 0.973015 Cl\n0.745923 0.851175 0.473015 Cl\n0.148825 0.254077 0.473015 Cl\n0.165013 0.834987 0.842120 Cl\n0.834987 0.165013 0.342120 Cl\n0.403899 0.596101 0.101602 Cl\n0.596101 0.403899 0.601602 Cl\n0.407334 0.963007 0.147680 Cl\n0.036993 0.592666 0.147680 Cl\n0.592666 0.036993 0.647680 Cl\n0.963007 0.407334 0.647680 Cl\n0.095543 0.904457 0.288850 Cl\n0.904457 0.095543 0.788850 Cl\n0.350735 0.649265 0.342531 Cl\n0.649265 0.350735 0.842531 Cl\n0.559227 0.440773 0.237367 O\n0.440773 0.559227 0.737367 O\n",
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]
}