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{
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{
"id": "mp-1043184",
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"structure_string": "V4 Zn1 Cu3 O12\n1.0\n6.023716 -0.014173 -2.126968\n-3.030622 5.222986 -2.144966\n0.004967 -0.013480 6.394982\nV Zn Cu O\n4 1 3 12\ndirect\n0.000001 0.000004 0.499999 V\n0.999996 0.500002 0.999998 V\n0.500001 0.499997 0.500000 V\n0.500001 0.000002 0.999999 V\n0.000003 0.000003 0.999994 Zn\n0.499998 0.499999 0.999999 Cu\n0.000001 0.500001 0.499999 Cu\n0.500000 0.999996 0.499999 Cu\n0.813487 0.294004 0.122442 O\n0.186515 0.705996 0.877559 O\n0.822299 0.698796 0.522183 O\n0.302769 0.480295 0.177294 O\n0.477534 0.176768 0.303105 O\n0.121331 0.813357 0.294819 O\n0.704987 0.878271 0.186358 O\n0.522466 0.823225 0.696897 O\n0.177703 0.301205 0.477817 O\n0.697223 0.519704 0.822712 O\n0.878671 0.186642 0.705181 O\n0.295014 0.121731 0.813644 O\n",
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{
"id": "mp-778450",
"created_at": "2022-09-04T14:44:41.345598Z",
"structure_string": "La4 Sm4 O12\n1.0\n6.030177 0.000000 0.000000\n0.000000 6.214502 0.000000\n0.000000 0.000000 8.731912\nLa Sm O\n4 4 12\ndirect\n0.491847 0.041664 0.483465 La\n0.991847 0.458336 0.983465 La\n0.008153 0.541664 0.483465 La\n0.508153 0.958336 0.983465 La\n0.999965 0.005929 0.740024 Sm\n0.499965 0.494071 0.240024 Sm\n0.500035 0.505929 0.740024 Sm\n0.000035 0.994071 0.240024 Sm\n0.136880 0.075636 0.993269 O\n0.667253 0.161783 0.183130 O\n0.691928 0.202188 0.823913 O\n0.191928 0.297812 0.323913 O\n0.167253 0.338217 0.683130 O\n0.636880 0.424364 0.493269 O\n0.363120 0.575636 0.993269 O\n0.832747 0.661783 0.183130 O\n0.808072 0.702188 0.823913 O\n0.308072 0.797812 0.323913 O\n0.332747 0.838217 0.683130 O\n0.863120 0.924364 0.493269 O\n",
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{
"id": "mp-1197776",
"created_at": "2022-09-04T14:44:41.361487Z",
"structure_string": "Fe4 Te12 S12 Cl12 O36 F72\n1.0\n16.058292 0.000000 0.000000\n0.000000 9.790239 0.000000\n0.000000 7.107342 17.349139\nFe Te S Cl O F\n4 12 12 12 36 72\ndirect\n0.848644 0.244473 0.258196 Fe\n0.651356 0.244473 0.758196 Fe\n0.151356 0.755527 0.741804 Fe\n0.348644 0.755527 0.241804 Fe\n0.978686 0.296897 0.396021 Te\n0.521314 0.296897 0.896021 Te\n0.021314 0.703103 0.603979 Te\n0.478686 0.703103 0.103979 Te\n0.015374 0.148496 0.164016 Te\n0.484626 0.148496 0.664016 Te\n0.984626 0.851504 0.835984 Te\n0.515375 0.851504 0.335984 Te\n0.858278 0.628617 0.144973 Te\n0.641722 0.628617 0.644973 Te\n0.141722 0.371383 0.855027 Te\n0.358278 0.371383 0.355027 Te\n0.824273 0.882595 0.381816 S\n0.675727 0.882595 0.881816 S\n0.175727 0.117405 0.618184 S\n0.324273 0.117405 0.118184 S\n0.704958 0.228120 0.118228 S\n0.795042 0.228120 0.618228 S\n0.295042 0.771880 0.881772 S\n0.204958 0.771880 0.381772 S\n0.671261 0.300301 0.357484 S\n0.828739 0.300301 0.857484 S\n0.328739 0.699699 0.642516 S\n0.171261 0.699699 0.142516 S\n0.777684 0.701121 0.375339 Cl\n0.722316 0.701121 0.875339 Cl\n0.222316 0.298879 0.624661 Cl\n0.277684 0.298879 0.124661 Cl\n0.700846 0.016381 0.134908 Cl\n0.799154 0.016381 0.634908 Cl\n0.299154 0.983619 0.865092 Cl\n0.200846 0.983619 0.365092 Cl\n0.619007 0.166148 0.453943 Cl\n0.880993 0.166148 0.953943 Cl\n0.380993 0.833852 0.546057 Cl\n0.119007 0.833852 0.046057 Cl\n0.925915 0.199107 0.340400 O\n0.574085 0.199107 0.840400 O\n0.074085 0.800893 0.659600 O\n0.425915 0.800893 0.159600 O\n0.911799 0.219724 0.178150 O\n0.588201 0.219724 0.678150 O\n0.088201 0.780276 0.821850 O\n0.411799 0.780276 0.321850 O\n0.836913 0.451085 0.226509 O\n0.663087 0.451085 0.726509 O\n0.163087 0.548915 0.773491 O\n0.336913 0.548915 0.273491 O\n0.819538 0.999389 0.306088 O\n0.680462 0.999389 0.806088 O\n0.180462 0.000611 0.693912 O\n0.319538 0.000611 0.193912 O\n0.795917 0.903134 0.448739 O\n0.704083 0.903134 0.948739 O\n0.204083 0.096866 0.551261 O\n0.295917 0.096866 0.051261 O\n0.734162 0.243232 0.187800 O\n0.765838 0.243232 0.687800 O\n0.265838 0.756768 0.812200 O\n0.234162 0.756768 0.312200 O\n0.738598 0.312747 0.044875 O\n0.761402 0.312747 0.544875 O\n0.261402 0.687253 0.955125 O\n0.238598 0.687253 0.455125 O\n0.743699 0.227500 0.342880 O\n0.756301 0.227500 0.842880 O\n0.256301 0.772500 0.657120 O\n0.243699 0.772500 0.157120 O\n0.674655 0.446930 0.354589 O\n0.825345 0.446930 0.854589 O\n0.325345 0.553070 0.645411 O\n0.174655 0.553070 0.145411 O\n0.918537 0.835841 0.393687 F\n0.581463 0.835841 0.893687 F\n0.081463 0.164159 0.606313 F\n0.418537 0.164159 0.106313 F\n0.609059 0.261388 0.116628 F\n0.890941 0.261388 0.616628 F\n0.390941 0.738612 0.883372 F\n0.109059 0.738612 0.383372 F\n0.603271 0.293017 0.298476 F\n0.896729 0.293017 0.798476 F\n0.396729 0.706983 0.701524 F\n0.103271 0.706983 0.201524 F\n0.077623 0.190577 0.402880 F\n0.422377 0.190577 0.902880 F\n0.922377 0.809423 0.597120 F\n0.577623 0.809423 0.097120 F\n0.019156 0.450666 0.307628 F\n0.480844 0.450666 0.807628 F\n0.980844 0.549334 0.692372 F\n0.519156 0.549334 0.192372 F\n0.884032 0.409870 0.397935 F\n0.615968 0.409870 0.897935 F\n0.115968 0.590130 0.602065 F\n0.384032 0.590130 0.102065 F\n0.944828 0.151674 0.490496 F\n0.555172 0.151674 0.990496 F\n0.055172 0.848326 0.509504 F\n0.444828 0.848326 0.009504 F\n0.032753 0.391562 0.453692 F\n0.467247 0.391562 0.953692 F\n0.967247 0.608438 0.546308 F\n0.532753 0.608438 0.046308 F\n0.009131 0.977909 0.255334 F\n0.490869 0.977909 0.755334 F\n0.990869 0.022091 0.744666 F\n0.509131 0.022091 0.244666 F\n0.967871 0.042068 0.108777 F\n0.532129 0.042068 0.608777 F\n0.032129 0.957932 0.891223 F\n0.467871 0.957932 0.391223 F\n0.033182 0.306614 0.070070 F\n0.466818 0.306614 0.570070 F\n0.966818 0.693386 0.929930 F\n0.533182 0.693386 0.429930 F\n0.075471 0.247042 0.216422 F\n0.424529 0.247042 0.716422 F\n0.924529 0.752958 0.783578 F\n0.575471 0.752958 0.283578 F\n0.118847 0.072694 0.148027 F\n0.381153 0.072694 0.648027 F\n0.881153 0.927306 0.851973 F\n0.618847 0.927306 0.351973 F\n0.815199 0.563743 0.069783 F\n0.684801 0.563743 0.569783 F\n0.184801 0.436257 0.930217 F\n0.315199 0.436257 0.430217 F\n0.752347 0.701701 0.155665 F\n0.747653 0.701701 0.655665 F\n0.247653 0.298299 0.844335 F\n0.252347 0.298299 0.344335 F\n0.900707 0.714583 0.211727 F\n0.599293 0.714583 0.711727 F\n0.099293 0.285417 0.788273 F\n0.400707 0.285417 0.288273 F\n0.966762 0.574914 0.127416 F\n0.533238 0.574914 0.627416 F\n0.033238 0.425086 0.872584 F\n0.466762 0.425086 0.372584 F\n0.877449 0.811543 0.064186 F\n0.622551 0.811543 0.564186 F\n0.122551 0.188457 0.935814 F\n0.377449 0.188457 0.435814 F\n",
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{
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"structure_string": "Ca6 Ti2 Ni2 O12\n1.0\n4.468637 -4.674691 0.000000\n4.468637 4.674691 0.000000\n-0.421608 0.000000 6.453193\nCa Ti Ni O\n6 2 2 12\ndirect\n0.893262 0.606738 0.250000 Ca\n0.750000 0.106738 0.393262 Ca\n0.393262 0.750000 0.106738 Ca\n0.106738 0.393262 0.750000 Ca\n0.250000 0.893262 0.606738 Ca\n0.606738 0.250000 0.893262 Ca\n0.500000 0.500000 0.500000 Ti\n0.000000 0.000000 0.000000 Ti\n0.750000 0.750000 0.750000 Ni\n0.250000 0.250000 0.250000 Ni\n0.419971 0.207135 0.541972 O\n0.580029 0.792865 0.458028 O\n0.458028 0.580029 0.792865 O\n0.792865 0.458028 0.580029 O\n0.919971 0.041972 0.707135 O\n0.707135 0.919971 0.041972 O\n0.958028 0.292865 0.080029 O\n0.292865 0.080029 0.958028 O\n0.080029 0.958028 0.292865 O\n0.207135 0.541972 0.419971 O\n0.541972 0.419971 0.207135 O\n0.041972 0.707135 0.919971 O\n",
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{
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{
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