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{
"id": "mp-752686",
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"structure_string": "Sm6 Ta2 O14\n1.0\n3.832564 -5.403273 0.000000\n3.832564 5.403273 0.000000\n0.000000 0.000000 7.653926\nSm Ta O\n6 2 14\ndirect\n0.464751 0.000637 0.253934 Sm\n0.999363 0.535249 0.246066 Sm\n0.476934 0.476934 0.000000 Sm\n0.523066 0.523066 0.500000 Sm\n0.535249 0.999363 0.753934 Sm\n0.000637 0.464751 0.746066 Sm\n0.002264 0.002264 0.500000 Ta\n0.997736 0.997736 0.000000 Ta\n0.938986 0.061014 0.750000 O\n0.636328 0.363672 0.750000 O\n0.310265 0.059153 0.535304 O\n0.940847 0.689735 0.964696 O\n0.629515 0.370485 0.250000 O\n0.922659 0.678970 0.527015 O\n0.321030 0.077341 0.972985 O\n0.077341 0.321030 0.027015 O\n0.678970 0.922659 0.472985 O\n0.370485 0.629515 0.750000 O\n0.689735 0.940847 0.035304 O\n0.059153 0.310265 0.464696 O\n0.363672 0.636328 0.250000 O\n0.061014 0.938986 0.250000 O\n",
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{
"id": "mp-685862",
"created_at": "2022-09-04T14:42:42.558129Z",
"structure_string": "Tm20 Ti12 O54\n1.0\n3.621829 6.276779 0.000000\n-3.621829 6.276779 0.000000\n0.000000 3.927155 23.637314\nTm Ti O\n20 12 54\ndirect\n0.988360 0.988360 0.997435 Tm\n0.236274 0.236274 0.254984 Tm\n0.118126 0.630660 0.124266 Tm\n0.633423 0.633423 0.112779 Tm\n0.730823 0.730823 0.244745 Tm\n0.349784 0.876948 0.376542 Tm\n0.112301 0.112301 0.134325 Tm\n0.630660 0.118126 0.124266 Tm\n0.867369 0.867369 0.392736 Tm\n0.011609 0.011609 0.504824 Tm\n0.359770 0.359770 0.389499 Tm\n0.621510 0.114124 0.630199 Tm\n0.876948 0.349784 0.376542 Tm\n0.117436 0.117436 0.634775 Tm\n0.874442 0.357810 0.867035 Tm\n0.268052 0.268052 0.749984 Tm\n0.373498 0.373498 0.880133 Tm\n0.114124 0.621510 0.630199 Tm\n0.522061 0.522061 0.990717 Tm\n0.357810 0.874442 0.867035 Tm\n0.481348 0.009074 0.999806 Ti\n0.009074 0.481348 0.999806 Ti\n0.744834 0.244427 0.254877 Ti\n0.244427 0.744834 0.254877 Ti\n0.501678 0.501678 0.499599 Ti\n0.989033 0.501224 0.502276 Ti\n0.501224 0.989033 0.502276 Ti\n0.743287 0.743287 0.751310 Ti\n0.245389 0.747589 0.749279 Ti\n0.747589 0.245389 0.749279 Ti\n0.619448 0.619448 0.624350 Ti\n0.879359 0.879359 0.876241 Ti\n0.285184 0.285184 0.161357 O\n0.636706 0.191596 0.029529 O\n0.746877 0.312575 0.155212 O\n0.191596 0.636706 0.029529 O\n0.533817 0.533817 0.410046 O\n0.996952 0.418955 0.077355 O\n0.529791 0.529791 0.245440 O\n0.886156 0.413522 0.285570 O\n0.689122 0.689122 0.017548 O\n0.312575 0.746877 0.155212 O\n0.413522 0.886156 0.285570 O\n0.418955 0.996952 0.077355 O\n0.767962 0.767962 0.154782 O\n0.083199 0.629901 0.238392 O\n0.998301 0.527588 0.415813 O\n0.743416 0.743416 0.668687 O\n0.186034 0.705512 0.335774 O\n0.816180 0.816180 0.490556 O\n0.208830 0.566873 0.500931 O\n0.060009 0.060009 0.232066 O\n0.629901 0.083199 0.238392 O\n0.973456 0.973456 0.090108 O\n0.527588 0.998301 0.415813 O\n0.338185 0.752133 0.665545 O\n0.705512 0.186034 0.335774 O\n0.024095 0.024095 0.414862 O\n0.964833 0.964833 0.597486 O\n0.374608 0.806184 0.495392 O\n0.566873 0.208830 0.500931 O\n0.022899 0.022899 0.898894 O\n0.498235 0.928247 0.585075 O\n0.054899 0.054899 0.728836 O\n0.440177 0.853970 0.768793 O\n0.198279 0.198279 0.504913 O\n0.806184 0.374608 0.495392 O\n0.224902 0.224902 0.346196 O\n0.752133 0.338185 0.665545 O\n0.928247 0.498235 0.585075 O\n0.228730 0.228730 0.841483 O\n0.278237 0.278237 0.658637 O\n0.648142 0.061849 0.726943 O\n0.648080 0.019104 0.927366 O\n0.853970 0.440177 0.768793 O\n0.728027 0.182624 0.829148 O\n0.294667 0.294667 0.969477 O\n0.444037 0.444037 0.759045 O\n0.061849 0.648142 0.726943 O\n0.487254 0.487254 0.585419 O\n0.019104 0.648080 0.927366 O\n0.182624 0.728027 0.829148 O\n0.535872 0.535872 0.900356 O\n0.902117 0.334057 0.966452 O\n0.334057 0.902117 0.966452 O\n0.758477 0.758477 0.832733 O\n",
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"formula_full": "Tm20 Ti12 O54",
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{
"id": "mp-729560",
"created_at": "2022-09-04T14:47:23.371952Z",
"structure_string": "Sr40 P24 Br2 O96 F6\n1.0\n4.954719 -8.581825 0.000000\n4.954719 8.581825 0.000000\n0.000000 0.000000 29.416268\nSr P Br O F\n40 24 2 96 6\ndirect\n0.259804 0.988148 0.062612 Sr\n0.242979 0.991765 0.561644 Sr\n0.238646 0.993020 0.313421 Sr\n0.243220 0.991745 0.811693 Sr\n0.011852 0.271656 0.062612 Sr\n0.006980 0.245625 0.313421 Sr\n0.008235 0.251214 0.561644 Sr\n0.008255 0.251475 0.811693 Sr\n0.333333 0.666667 0.126433 Sr\n0.333333 0.666667 0.375170 Sr\n0.333333 0.666667 0.250850 Sr\n0.333333 0.666667 0.624744 Sr\n0.333333 0.666667 0.499312 Sr\n0.333333 0.666667 0.874722 Sr\n0.333333 0.666667 0.749136 Sr\n0.333333 0.666667 0.999426 Sr\n0.266497 0.254615 0.187232 Sr\n0.249778 0.241635 0.436470 Sr\n0.251465 0.243218 0.686688 Sr\n0.251052 0.242895 0.937055 Sr\n0.728344 0.740196 0.062612 Sr\n0.748525 0.756780 0.811693 Sr\n0.754375 0.761354 0.313421 Sr\n0.748786 0.757021 0.561644 Sr\n0.666667 0.333333 0.997697 Sr\n0.666667 0.333333 0.124466 Sr\n0.666667 0.333333 0.251960 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0.812637 P\n0.967162 0.601722 0.061749 P\n0.968898 0.595590 0.312957 P\n0.970700 0.602290 0.562565 P\n0.970703 0.602287 0.812637 P\n0.000000 0.000000 0.111180 Br\n0.000000 0.000000 0.236924 Br\n0.264995 0.913076 0.144643 O\n0.268149 0.910279 0.230819 O\n0.262216 0.918917 0.394998 O\n0.261533 0.919647 0.644882 O\n0.262118 0.918234 0.730538 O\n0.262263 0.917606 0.480587 O\n0.261113 0.918908 0.894723 O\n0.261421 0.917547 0.980326 O\n0.147146 0.667904 0.062795 O\n0.149425 0.668798 0.312878 O\n0.150847 0.670824 0.562818 O\n0.150853 0.670747 0.812857 O\n0.123240 0.588293 0.186537 O\n0.117105 0.580639 0.437615 O\n0.117318 0.579919 0.687496 O\n0.116654 0.579628 0.937642 O\n0.086924 0.351919 0.144643 O\n0.081083 0.343299 0.394998 O\n0.089721 0.357871 0.230819 O\n0.080353 0.341886 0.644882 O\n0.082394 0.344657 0.480587 O\n0.081092 0.342205 0.894723 O\n0.081766 0.343884 0.730538 O\n0.082453 0.343874 0.980326 O\n0.463534 0.882895 0.437615 O\n0.465053 0.876760 0.186537 O\n0.462973 0.883346 0.937642 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"formula_full": "Sr40 P24 Br2 O96 F6",
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"spacegroup": 143
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{
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"structure_string": "Re2 Sb2 O12\n1.0\n7.382350 0.000000 0.000000\n0.000000 5.216429 0.000000\n0.000000 0.001578 5.363509\nRe Sb O\n2 2 12\ndirect\n0.500000 0.500000 0.000000 Re\n0.000000 0.500000 0.000000 Re\n0.500000 0.000000 0.500000 Sb\n0.000000 0.000000 0.500000 Sb\n0.549794 0.689282 0.287573 O\n0.950448 0.792743 0.809058 O\n0.049794 0.310718 0.712427 O\n0.450448 0.207257 0.190942 O\n0.549552 0.792743 0.809058 O\n0.049552 0.207257 0.190942 O\n0.750000 0.119992 0.477023 O\n0.950206 0.689282 0.287573 O\n0.250000 0.585264 0.016288 O\n0.450206 0.310718 0.712427 O\n0.250000 0.880008 0.522977 O\n0.750000 0.414736 0.983712 O\n",
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{
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{
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{
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