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{
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{
"id": "mp-1201514",
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"structure_string": "K8 Ru4 O20\n1.0\n6.718642 0.000000 0.000000\n0.000000 8.047159 0.000000\n0.000000 0.000000 10.603032\nK Ru O\n8 4 20\ndirect\n0.377723 0.609260 0.457829 K\n0.877723 0.890740 0.542171 K\n0.622277 0.109260 0.042171 K\n0.122277 0.390740 0.957829 K\n0.025254 0.753437 0.194344 K\n0.525254 0.746563 0.805656 K\n0.974746 0.253437 0.305656 K\n0.474746 0.246563 0.694344 K\n0.415276 0.062966 0.381280 Ru\n0.915276 0.437034 0.618720 Ru\n0.584724 0.562966 0.118720 Ru\n0.084724 0.937034 0.881280 Ru\n0.989980 0.531235 0.468041 O\n0.489980 0.968765 0.531959 O\n0.010020 0.031235 0.031959 O\n0.510020 0.468765 0.968041 O\n0.204292 0.921736 0.378449 O\n0.704292 0.578264 0.621551 O\n0.795708 0.421736 0.121551 O\n0.295708 0.078264 0.878449 O\n0.654981 0.633043 0.275458 O\n0.154981 0.866957 0.724542 O\n0.345019 0.133043 0.224542 O\n0.845019 0.366957 0.775458 O\n0.338845 0.521468 0.178332 O\n0.838845 0.978532 0.821668 O\n0.661155 0.021468 0.321668 O\n0.161155 0.478532 0.678332 O\n0.635019 0.759211 0.049661 O\n0.135019 0.740789 0.950339 O\n0.364981 0.259211 0.450339 O\n0.864981 0.240789 0.549661 O\n",
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{
"id": "mp-556740",
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"structure_string": "Na18 Si18 B18 O72\n1.0\n7.018383 -12.156195 0.000000\n7.018383 12.156195 0.000000\n0.000000 0.000000 7.779473\nNa Si B O\n18 18 18 72\ndirect\n0.311429 0.325772 0.502709 Na\n0.014343 0.688571 0.502709 Na\n0.987290 0.654038 0.067224 Na\n0.666749 0.012710 0.067224 Na\n0.333251 0.987290 0.567224 Na\n0.666667 0.333333 0.523186 Na\n0.000000 0.000000 0.052855 Na\n0.985657 0.311429 0.002709 Na\n0.345962 0.333251 0.067224 Na\n0.666667 0.333333 0.025001 Na\n0.333333 0.666667 0.525001 Na\n0.674228 0.985657 0.502709 Na\n0.000000 0.000000 0.552855 Na\n0.333333 0.666667 0.023186 Na\n0.688571 0.674228 0.002709 Na\n0.325772 0.014343 0.002709 Na\n0.012710 0.345962 0.567224 Na\n0.654038 0.666749 0.567224 Na\n0.551087 0.763237 0.239676 Si\n0.236763 0.787850 0.239676 Si\n0.878779 0.782488 0.333898 Si\n0.212150 0.448913 0.239676 Si\n0.431394 0.545582 0.745982 Si\n0.545582 0.114188 0.245982 Si\n0.787850 0.551087 0.739676 Si\n0.903709 0.121221 0.333898 Si\n0.448913 0.236763 0.739676 Si\n0.114188 0.568606 0.745982 Si\n0.096291 0.878779 0.833898 Si\n0.885812 0.431394 0.245982 Si\n0.121221 0.217512 0.833898 Si\n0.782488 0.903709 0.833898 Si\n0.568606 0.454418 0.245982 Si\n0.217512 0.096291 0.333898 Si\n0.454418 0.885812 0.745982 Si\n0.763237 0.212150 0.739676 Si\n0.566822 0.453572 0.865131 B\n0.552439 0.765966 0.864531 B\n0.218579 0.098561 0.710302 B\n0.098561 0.879982 0.210302 B\n0.879982 0.781421 0.710302 B\n0.546428 0.113250 0.865131 B\n0.786473 0.552439 0.364531 B\n0.120018 0.218579 0.210302 B\n0.113250 0.566822 0.365131 B\n0.453572 0.886750 0.365131 B\n0.234034 0.786473 0.864531 B\n0.765966 0.213527 0.364531 B\n0.901439 0.120018 0.710302 B\n0.213527 0.447561 0.864531 B\n0.886750 0.433178 0.865131 B\n0.447561 0.234034 0.364531 B\n0.781421 0.901439 0.210302 B\n0.433178 0.546428 0.365131 B\n0.658838 0.456515 0.767539 O\n0.340615 0.869072 0.363724 O\n0.202597 0.864661 0.787831 O\n0.876997 0.868379 0.812374 O\n0.512227 0.118065 0.045401 O\n0.538997 0.534375 0.792225 O\n0.471543 0.340615 0.863724 O\n0.843592 0.787495 0.532606 O\n0.534375 0.995379 0.292225 O\n0.869648 0.197604 0.784999 O\n0.056096 0.843592 0.032606 O\n0.659385 0.130928 0.863724 O\n0.275949 0.823608 0.041330 O\n0.004621 0.538997 0.292225 O\n0.605838 0.487773 0.045401 O\n0.861767 0.326652 0.368568 O\n0.534559 0.324331 0.263275 O\n0.200143 0.193516 0.707063 O\n0.787495 0.943904 0.032606 O\n0.006627 0.200143 0.207063 O\n0.130352 0.802396 0.284999 O\n0.197604 0.327956 0.284999 O\n0.943904 0.156408 0.532606 O\n0.008618 0.876997 0.312374 O\n0.461003 0.465625 0.292225 O\n0.176392 0.452341 0.041330 O\n0.452341 0.275949 0.541330 O\n0.823608 0.547659 0.541330 O\n0.789772 0.465441 0.263275 O\n0.806484 0.006627 0.707063 O\n0.156408 0.212505 0.032606 O\n0.802396 0.672044 0.784999 O\n0.327956 0.130352 0.784999 O\n0.868379 0.991382 0.312374 O\n0.212505 0.056096 0.532606 O\n0.991382 0.123003 0.812374 O\n0.672044 0.869648 0.284999 O\n0.131621 0.008618 0.812374 O\n0.535115 0.861767 0.868568 O\n0.543485 0.202323 0.767539 O\n0.193516 0.993373 0.207063 O\n0.673348 0.535115 0.368568 O\n0.465625 0.004621 0.792225 O\n0.797677 0.341162 0.767539 O\n0.130928 0.471543 0.363724 O\n0.528457 0.659385 0.363724 O\n0.487773 0.881935 0.545401 O\n0.995379 0.461003 0.792225 O\n0.210228 0.534559 0.763275 O\n0.662064 0.797403 0.787831 O\n0.337936 0.202597 0.287831 O\n0.993373 0.799857 0.707063 O\n0.326652 0.464885 0.868568 O\n0.456515 0.797677 0.267539 O\n0.123003 0.131621 0.312374 O\n0.341162 0.543485 0.267539 O\n0.465441 0.675669 0.763275 O\n0.324331 0.789772 0.763275 O\n0.202323 0.658838 0.267539 O\n0.724051 0.176392 0.541330 O\n0.547659 0.724051 0.041330 O\n0.394162 0.512227 0.545401 O\n0.869072 0.528457 0.863724 O\n0.864661 0.662064 0.287831 O\n0.675669 0.210228 0.263275 O\n0.118065 0.605838 0.545401 O\n0.881935 0.394162 0.045401 O\n0.797403 0.135339 0.287831 O\n0.138233 0.673348 0.868568 O\n0.135339 0.337936 0.787831 O\n0.464885 0.138233 0.368568 O\n0.799857 0.806484 0.207063 O\n",
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"spacegroup": 173
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{
"id": "mp-1008228",
"created_at": "2022-09-04T14:41:34.678237Z",
"structure_string": "Sn8 P8 O8 F56\n1.0\n10.057369 0.000000 0.000000\n0.000000 11.207849 0.000000\n0.000000 0.000000 12.486726\nSn P O F\n8 8 8 56\ndirect\n0.657881 0.440344 0.000334 Sn\n0.842119 0.940344 0.999666 Sn\n0.157881 0.559656 0.499666 Sn\n0.342119 0.059656 0.500334 Sn\n0.342119 0.559656 0.999666 Sn\n0.157881 0.059656 0.000334 Sn\n0.842119 0.440344 0.500334 Sn\n0.657881 0.940344 0.499666 Sn\n0.567105 0.301413 0.240123 P\n0.932895 0.801413 0.759877 P\n0.067105 0.698587 0.259877 P\n0.432895 0.198587 0.740123 P\n0.432895 0.698587 0.759877 P\n0.067105 0.198587 0.240123 P\n0.932895 0.301413 0.740123 P\n0.567105 0.801413 0.259877 P\n0.597664 0.397456 0.163929 O\n0.902336 0.897456 0.836071 O\n0.097664 0.602544 0.336071 O\n0.402336 0.102544 0.663929 O\n0.402336 0.602544 0.836071 O\n0.097664 0.102544 0.163929 O\n0.902336 0.397456 0.663929 O\n0.597664 0.897456 0.336071 O\n0.452105 0.404318 0.966512 F\n0.047895 0.904318 0.033488 F\n0.952105 0.595682 0.533488 F\n0.547895 0.095682 0.466512 F\n0.547895 0.595682 0.033488 F\n0.952105 0.095682 0.966512 F\n0.047895 0.404318 0.466512 F\n0.452105 0.904318 0.533488 F\n0.691026 0.270850 0.982541 F\n0.808974 0.770850 0.017459 F\n0.191026 0.729150 0.517459 F\n0.308974 0.229150 0.482541 F\n0.308974 0.729150 0.017459 F\n0.191026 0.229150 0.982541 F\n0.808974 0.270850 0.482541 F\n0.691026 0.770850 0.517459 F\n0.822137 0.497134 0.061078 F\n0.677863 0.997134 0.938922 F\n0.322137 0.502866 0.438922 F\n0.177863 0.002866 0.561078 F\n0.177863 0.502866 0.938922 F\n0.322137 0.002866 0.061078 F\n0.677863 0.497134 0.561078 F\n0.822137 0.997134 0.438922 F\n0.683705 0.488546 0.851862 F\n0.816295 0.988546 0.148138 F\n0.183705 0.511454 0.648138 F\n0.316295 0.011454 0.351862 F\n0.316295 0.511454 0.148138 F\n0.183705 0.011454 0.851862 F\n0.816295 0.488546 0.351862 F\n0.683705 0.988546 0.648138 F\n0.451644 0.219901 0.207613 F\n0.048356 0.719901 0.792387 F\n0.951644 0.780099 0.292387 F\n0.548356 0.280099 0.707613 F\n0.548356 0.780099 0.792387 F\n0.951644 0.280099 0.207613 F\n0.048356 0.219901 0.707613 F\n0.451644 0.719901 0.292387 F\n0.680939 0.214084 0.261852 F\n0.819061 0.714084 0.738148 F\n0.180939 0.785916 0.238148 F\n0.319061 0.285916 0.761852 F\n0.319061 0.785916 0.738148 F\n0.180939 0.285916 0.261852 F\n0.819061 0.214084 0.761852 F\n0.680939 0.714084 0.238148 F\n0.528023 0.347976 0.350419 F\n0.971977 0.847976 0.649581 F\n0.028023 0.652024 0.149581 F\n0.471977 0.152024 0.850419 F\n0.471977 0.652024 0.649581 F\n0.028023 0.152024 0.350419 F\n0.971977 0.347976 0.850419 F\n0.528023 0.847976 0.149581 F\n",
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{
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{
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"structure_string": "Ta2 Cr6 Cu4 S16\n1.0\n6.026381 0.000000 0.000000\n-0.011291 6.969432 0.000000\n-2.629822 -0.500835 12.530679\nTa Cr Cu S\n2 6 4 16\ndirect\n0.766500 0.983814 0.752566 Ta\n0.741899 0.738224 0.249668 Ta\n0.251315 0.000332 0.252602 Cr\n0.744697 0.501406 0.741023 Cr\n0.255473 0.511325 0.249252 Cr\n0.249939 0.750155 0.749771 Cr\n0.753333 0.258216 0.251891 Cr\n0.249013 0.246701 0.750895 Cr\n0.514597 0.059486 0.033220 Cu\n0.980025 0.416983 0.475447 Cu\n0.652414 0.996122 0.535922 Cu\n0.825669 0.508399 0.958840 Cu\n0.524110 0.741377 0.633241 S\n0.136715 0.268837 0.352536 S\n0.960758 0.263064 0.857448 S\n0.364962 0.749581 0.136413 S\n0.974008 0.750108 0.866230 S\n0.372828 0.243553 0.150042 S\n0.532369 0.242321 0.641496 S\n0.132515 0.759607 0.359032 S\n0.460928 0.005213 0.859833 S\n0.866982 0.000183 0.144030 S\n0.041887 0.489854 0.646261 S\n0.634519 0.511005 0.367770 S\n0.041273 0.988854 0.637028 S\n0.630141 0.015066 0.360725 S\n0.462164 0.507654 0.850518 S\n0.878970 0.492562 0.136302 S\n",
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{
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