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{
"id": "mp-1221947",
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"structure_string": "Mn4 Co1 Sb4 Ir3\n1.0\n-3.024887 -3.024887 0.000000\n0.000000 3.024887 -3.024887\n6.013509 -9.038396 -9.038396\nMn Co Sb Ir\n4 1 4 3\ndirect\n0.245059 0.622529 0.132412 Mn\n0.756116 0.878058 0.365825 Mn\n0.252555 0.126277 0.621168 Mn\n0.747954 0.373977 0.878069 Mn\n0.870376 0.935188 0.194436 Co\n0.002711 0.501355 0.495934 Sb\n0.498729 0.749365 0.751906 Sb\n0.991197 0.995599 0.013204 Sb\n0.507179 0.253590 0.239231 Sb\n0.380436 0.190218 0.429346 Ir\n0.875359 0.437679 0.686962 Ir\n0.372329 0.686164 0.941507 Ir\n",
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{
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"structure_string": "Li8 Cr8 B16 O40\n1.0\n10.675555 0.000000 0.000000\n0.000000 5.405386 0.000000\n0.000000 2.184975 11.830926\nLi Cr B O\n8 8 16 40\ndirect\n0.631020 0.380209 0.062978 Li\n0.868980 0.880209 0.062978 Li\n0.120151 0.118648 0.438005 Li\n0.379849 0.618648 0.438005 Li\n0.620151 0.381352 0.561995 Li\n0.879849 0.881352 0.561995 Li\n0.131020 0.119791 0.937022 Li\n0.368980 0.619791 0.937022 Li\n0.376537 0.269506 0.238514 Cr\n0.875740 0.254697 0.258947 Cr\n0.123463 0.769506 0.238514 Cr\n0.624260 0.754697 0.258947 Cr\n0.375740 0.245303 0.741053 Cr\n0.876537 0.230494 0.761486 Cr\n0.124260 0.745303 0.741053 Cr\n0.623463 0.730494 0.761486 Cr\n0.370860 0.145466 0.005487 B\n0.129140 0.645466 0.005487 B\n0.119816 0.305917 0.166344 B\n0.380184 0.805917 0.166344 B\n0.628832 0.205752 0.334259 B\n0.871168 0.705752 0.334259 B\n0.386736 0.157490 0.509017 B\n0.886736 0.342510 0.490983 B\n0.113264 0.657490 0.509017 B\n0.613264 0.842510 0.490983 B\n0.128832 0.294248 0.665741 B\n0.371168 0.794248 0.665741 B\n0.619816 0.194083 0.833656 B\n0.880184 0.694083 0.833656 B\n0.870860 0.354534 0.994513 B\n0.629140 0.854534 0.994513 B\n0.395162 0.321416 0.070973 O\n0.109701 0.383530 0.050456 O\n0.822691 0.286083 0.099705 O\n0.104838 0.821416 0.070973 O\n0.390299 0.883530 0.050456 O\n0.677309 0.786083 0.099705 O\n0.044833 0.116345 0.223040 O\n0.554045 0.112559 0.255832 O\n0.201458 0.429980 0.227197 O\n0.455167 0.616345 0.223040 O\n0.707024 0.406104 0.294825 O\n0.945955 0.612559 0.255832 O\n0.298542 0.929980 0.227197 O\n0.792976 0.906104 0.294825 O\n0.353027 0.256705 0.402189 O\n0.628620 0.106603 0.449774 O\n0.927028 0.187491 0.419981 O\n0.146973 0.756705 0.402189 O\n0.871380 0.606603 0.449774 O\n0.572972 0.687491 0.419981 O\n0.427028 0.312509 0.580019 O\n0.128620 0.393397 0.550226 O\n0.853027 0.243295 0.597811 O\n0.072972 0.812509 0.580019 O\n0.371380 0.893397 0.550226 O\n0.646973 0.743295 0.597811 O\n0.207024 0.093896 0.705175 O\n0.701458 0.070020 0.772803 O\n0.054045 0.387441 0.744168 O\n0.292976 0.593896 0.705175 O\n0.544833 0.383655 0.776960 O\n0.798542 0.570020 0.772803 O\n0.445955 0.887441 0.744168 O\n0.955167 0.883655 0.776960 O\n0.322691 0.213917 0.900295 O\n0.609701 0.116470 0.949544 O\n0.895162 0.178584 0.929027 O\n0.177309 0.713917 0.900295 O\n0.890299 0.616470 0.949544 O\n0.604838 0.678584 0.929027 O\n",
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"formula_full": "Li8 Cr8 B16 O40",
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{
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{
"id": "mp-1208462",
"created_at": "2022-09-04T14:47:22.515050Z",
"structure_string": "Tb6 Ge8\n1.0\n2.044883 -5.373742 0.000000\n2.044883 5.373742 0.000000\n0.000000 0.000000 14.362289\nTb Ge\n6 8\ndirect\n0.668000 0.332000 0.096849 Tb\n0.332000 0.668000 0.903151 Tb\n0.332000 0.668000 0.596849 Tb\n0.668000 0.332000 0.403151 Tb\n0.951987 0.048013 0.250000 Tb\n0.048013 0.951987 0.750000 Tb\n0.378612 0.621388 0.108670 Ge\n0.621388 0.378612 0.891330 Ge\n0.621388 0.378612 0.608670 Ge\n0.378612 0.621388 0.391330 Ge\n0.224173 0.775827 0.250000 Ge\n0.775827 0.224173 0.750000 Ge\n0.000000 0.000000 0.000000 Ge\n0.000000 0.000000 0.500000 Ge\n",
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],
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"formula_full": "Tb6 Ge8",
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{
"id": "mp-561290",
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"structure_string": "K8 Bi4 F20\n1.0\n6.709821 0.000000 0.000000\n0.000000 7.567113 0.000000\n0.000000 0.000000 11.611229\nK Bi F\n8 4 20\ndirect\n0.992841 0.001135 0.330728 K\n0.992841 0.498865 0.330728 K\n0.492841 0.501135 0.169272 K\n0.507159 0.498865 0.830728 K\n0.007159 0.501135 0.669272 K\n0.507159 0.001135 0.830728 K\n0.492841 0.998865 0.169272 K\n0.007159 0.998865 0.669272 K\n0.062436 0.250000 0.954970 Bi\n0.437564 0.250000 0.454970 Bi\n0.562436 0.750000 0.545030 Bi\n0.937564 0.750000 0.045030 Bi\n0.775088 0.750000 0.215364 F\n0.887870 0.454633 0.092937 F\n0.691834 0.250000 0.329465 F\n0.612130 0.454633 0.592937 F\n0.387870 0.545367 0.407063 F\n0.724912 0.750000 0.715364 F\n0.890938 0.750000 0.488565 F\n0.609062 0.750000 0.988565 F\n0.275088 0.250000 0.284636 F\n0.887870 0.045367 0.092937 F\n0.308166 0.750000 0.670535 F\n0.808166 0.250000 0.829465 F\n0.224912 0.250000 0.784636 F\n0.387870 0.954633 0.407063 F\n0.390938 0.250000 0.011435 F\n0.109062 0.250000 0.511435 F\n0.612130 0.045367 0.592937 F\n0.112130 0.954633 0.907063 F\n0.191834 0.750000 0.170535 F\n0.112130 0.545367 0.907063 F\n",
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"formula_full": "K8 Bi4 F20",
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{
"id": "mp-1217331",
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"structure_string": "Th2 Ir2 Os2\n1.0\n-2.614988 2.768339 3.983153\n2.614988 -2.768339 3.983153\n2.614988 2.768339 -3.983153\nTh Ir Os\n2 2 2\ndirect\n0.127651 0.877651 0.250000 Th\n0.872349 0.122349 0.750000 Th\n0.000000 0.500000 0.500000 Ir\n0.500000 0.500000 0.000000 Ir\n0.500000 0.000000 0.000000 Os\n0.500000 0.500000 0.500000 Os\n",
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"formula_full": "Th2 Ir2 Os2",
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{
"id": "mp-1076598",
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"structure_string": "La7 Sm1 Mn2 Fe6 O24\n1.0\n5.530454 -5.591326 0.000000\n5.530454 5.591326 0.000000\n0.000000 0.000000 7.875194\nLa Sm Mn Fe O\n7 1 2 6 24\ndirect\n0.000000 0.500000 0.754878 La\n0.500000 0.500000 0.760229 La\n0.000000 0.500000 0.245021 La\n0.500000 0.500000 0.246503 La\n0.500000 0.000000 0.754878 La\n0.000000 0.000000 0.239627 La\n0.500000 0.000000 0.245021 La\n0.000000 0.000000 0.757589 Sm\n0.249381 0.750619 0.500461 Mn\n0.750619 0.249381 0.500461 Mn\n0.750030 0.750030 0.999788 Fe\n0.249465 0.750535 0.999419 Fe\n0.750764 0.750764 0.500601 Fe\n0.750535 0.249465 0.999419 Fe\n0.249970 0.249970 0.999788 Fe\n0.249236 0.249236 0.500601 Fe\n0.751933 0.495267 0.001396 O\n0.248067 0.504733 0.001396 O\n0.750892 0.495418 0.500879 O\n0.249108 0.504582 0.500879 O\n0.751048 0.004328 0.995573 O\n0.248952 0.995672 0.995573 O\n0.751128 0.004580 0.501088 O\n0.248872 0.995420 0.501088 O\n0.753356 0.753356 0.741386 O\n0.248631 0.751369 0.744415 O\n0.749210 0.749210 0.258871 O\n0.248958 0.751042 0.255311 O\n0.751369 0.248631 0.744415 O\n0.246644 0.246644 0.741386 O\n0.751042 0.248958 0.255311 O\n0.250790 0.250790 0.258871 O\n0.004328 0.751048 0.995573 O\n0.495267 0.751933 0.001396 O\n0.004580 0.751128 0.501088 O\n0.495418 0.750892 0.500879 O\n0.995672 0.248952 0.995573 O\n0.504733 0.248067 0.001396 O\n0.995420 0.248872 0.501088 O\n0.504582 0.249108 0.500879 O\n",
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{
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"structure_string": "Lu2 I2 O1\n1.0\n4.180958 0.000000 0.000000\n0.000000 4.180958 0.000000\n0.000000 0.000000 15.317711\nLu I O\n2 2 1\ndirect\n0.500000 0.500000 0.129724 Lu\n0.500000 0.500000 0.870276 Lu\n0.500000 0.500000 0.687999 I\n0.500000 0.500000 0.312001 I\n0.500000 0.500000 0.000000 O\n",
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{
"id": "mp-694971",
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"structure_string": "Li4 Ti8 Nb4 Cu8 O36\n1.0\n6.105485 -0.021866 -2.156234\n-3.077528 5.332467 -2.173339\n0.038565 0.004546 19.515987\nLi Ti Nb Cu O\n4 8 4 8 36\ndirect\n0.968562 0.051458 0.976721 Li\n0.996208 0.498388 0.832211 Li\n0.987050 0.087404 0.679356 Li\n0.930408 0.888952 0.325040 Li\n0.982603 0.508277 0.664428 Ti\n0.986104 0.989497 0.498109 Ti\n0.997308 0.486015 0.334578 Ti\n0.000051 0.009008 0.828653 Ti\n0.485490 0.493381 0.496044 Ti\n0.006903 0.517878 0.002787 Ti\n0.478188 0.490167 0.165980 Ti\n0.984963 0.984646 0.165174 Ti\n0.511794 0.509457 0.833473 Nb\n0.493231 0.001300 0.663011 Nb\n0.485607 0.997828 0.331827 Nb\n0.490099 0.004684 0.003186 Nb\n0.503524 0.001357 0.834243 Cu\n0.489604 0.500473 0.663182 Cu\n0.497253 0.997039 0.498764 Cu\n0.503789 0.502327 0.332675 Cu\n0.998739 0.498523 0.499628 Cu\n0.497834 0.498845 0.002076 Cu\n0.504123 0.001900 0.169557 Cu\n0.995183 0.499050 0.165762 Cu\n0.180091 0.698429 0.961368 O\n0.128260 0.811195 0.769977 O\n0.172711 0.286449 0.821525 O\n0.175197 0.685605 0.622714 O\n0.298968 0.128640 0.940949 O\n0.511670 0.823913 0.898509 O\n0.299872 0.476635 0.724205 O\n0.124960 0.820349 0.433676 O\n0.184604 0.311720 0.496078 O\n0.689176 0.512094 0.942040 O\n0.503210 0.181686 0.771726 O\n0.302367 0.130979 0.606226 O\n0.170520 0.693743 0.289657 O\n0.510509 0.815239 0.561575 O\n0.695073 0.868674 0.724657 O\n0.312205 0.491963 0.392855 O\n0.131638 0.818938 0.105377 O\n0.820793 0.710302 0.841662 O\n0.178983 0.312041 0.163723 O\n0.876372 0.185478 0.897543 O\n0.689345 0.512844 0.606041 O\n0.310111 0.133344 0.272898 O\n0.489536 0.181027 0.437383 O\n0.816258 0.293213 0.702040 O\n0.521054 0.820135 0.231907 O\n0.699389 0.873154 0.391033 O\n0.299427 0.476910 0.059268 O\n0.819288 0.690457 0.501831 O\n0.870723 0.175727 0.562490 O\n0.696612 0.515116 0.273352 O\n0.492633 0.184721 0.107048 O\n0.690077 0.868555 0.060733 O\n0.824849 0.311052 0.377067 O\n0.820597 0.695867 0.171096 O\n0.875454 0.181109 0.231515 O\n0.822849 0.304844 0.041791 O\n",
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{
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}