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{
"id": "mp-554363",
"created_at": "2022-09-04T14:41:55.074521Z",
"structure_string": "Pr8 Ti12 Cl8 O32\n1.0\n5.076431 0.000000 0.000000\n0.000000 11.758889 0.000000\n0.000000 0.000000 14.965603\nPr Ti Cl O\n8 12 8 32\ndirect\n0.021330 0.861974 0.162100 Pr\n0.478670 0.861974 0.837900 Pr\n0.521330 0.138026 0.162100 Pr\n0.978670 0.138026 0.837900 Pr\n0.021330 0.361974 0.337900 Pr\n0.478670 0.361974 0.662100 Pr\n0.978670 0.638026 0.662100 Pr\n0.521330 0.638026 0.337900 Pr\n0.750000 0.091025 0.500000 Ti\n0.250000 0.408975 0.000000 Ti\n0.250000 0.908975 0.500000 Ti\n0.627624 0.423674 0.162507 Ti\n0.127623 0.076326 0.337493 Ti\n0.372376 0.576326 0.837493 Ti\n0.872376 0.423674 0.837493 Ti\n0.750000 0.591025 0.000000 Ti\n0.127623 0.576326 0.162507 Ti\n0.627624 0.923674 0.337493 Ti\n0.372376 0.076326 0.662507 Ti\n0.872376 0.923674 0.662507 Ti\n0.482992 0.602317 0.576128 Cl\n0.517008 0.397683 0.423872 Cl\n0.017008 0.602317 0.423872 Cl\n0.517008 0.897683 0.076128 Cl\n0.017008 0.102317 0.076128 Cl\n0.982992 0.897683 0.923872 Cl\n0.482992 0.102317 0.923872 Cl\n0.982992 0.397683 0.576128 Cl\n0.437500 0.544940 0.076713 O\n0.672466 0.530723 0.762738 O\n0.827534 0.530723 0.237262 O\n0.747028 0.299605 0.220642 O\n0.827534 0.030723 0.262738 O\n0.575208 0.181188 0.581084 O\n0.252972 0.700395 0.779358 O\n0.252972 0.200395 0.720642 O\n0.672466 0.030723 0.737262 O\n0.327534 0.969277 0.262738 O\n0.075209 0.818812 0.581084 O\n0.752972 0.799605 0.720642 O\n0.937500 0.955060 0.423287 O\n0.075209 0.318812 0.918916 O\n0.172466 0.969277 0.737262 O\n0.062500 0.544940 0.923287 O\n0.062500 0.044940 0.576713 O\n0.575208 0.681188 0.918916 O\n0.247028 0.700395 0.220642 O\n0.562500 0.455060 0.923287 O\n0.327534 0.469277 0.237262 O\n0.424792 0.818812 0.418916 O\n0.562500 0.955060 0.576713 O\n0.924792 0.681188 0.081084 O\n0.172466 0.469277 0.762738 O\n0.424792 0.318812 0.081084 O\n0.747028 0.799605 0.279358 O\n0.437500 0.044940 0.423287 O\n0.937500 0.455060 0.076713 O\n0.924792 0.181188 0.418916 O\n0.752972 0.299605 0.779358 O\n0.247028 0.200395 0.279358 O\n",
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{
"id": "mp-555941",
"created_at": "2022-09-04T14:41:55.050771Z",
"structure_string": "Al6 P6 O24\n1.0\n6.417953 -6.955799 0.000000\n6.417953 6.955799 0.000000\n-1.120766 0.000000 9.397720\nAl P O\n6 6 24\ndirect\n0.123176 0.666807 0.899468 Al\n0.899468 0.123176 0.666807 Al\n0.876824 0.333193 0.100532 Al\n0.666807 0.899468 0.123176 Al\n0.333193 0.100532 0.876824 Al\n0.100532 0.876824 0.333193 Al\n0.878648 0.111089 0.333539 P\n0.888911 0.666461 0.121352 P\n0.333539 0.878648 0.111089 P\n0.666461 0.121352 0.888911 P\n0.111089 0.333539 0.878648 P\n0.121352 0.888911 0.666461 P\n0.489571 0.856495 0.153226 O\n0.153226 0.489571 0.856495 O\n0.986810 0.732992 0.251491 O\n0.894039 0.247218 0.256511 O\n0.323184 0.015583 0.034319 O\n0.105961 0.752782 0.743489 O\n0.267008 0.748509 0.013190 O\n0.251491 0.986810 0.732992 O\n0.034319 0.323184 0.015583 O\n0.015583 0.034319 0.323184 O\n0.846774 0.510429 0.143505 O\n0.984417 0.965681 0.676816 O\n0.743489 0.105961 0.752782 O\n0.143505 0.846774 0.510429 O\n0.013190 0.267008 0.748509 O\n0.256511 0.894039 0.247218 O\n0.748509 0.013190 0.267008 O\n0.247218 0.256511 0.894039 O\n0.965681 0.676816 0.984417 O\n0.676816 0.984417 0.965681 O\n0.732992 0.251491 0.986810 O\n0.856495 0.153226 0.489571 O\n0.510429 0.143505 0.846774 O\n0.752782 0.743489 0.105961 O\n",
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{
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"structure_string": "Mg1 Ni1 Sb1\n1.0\n0.000000 3.041867 3.041867\n3.041867 0.000000 3.041867\n3.041867 3.041867 0.000000\nMg Ni Sb\n1 1 1\ndirect\n0.500000 0.500000 0.500000 Mg\n0.250000 0.250000 0.250000 Ni\n0.000000 0.000000 0.000000 Sb\n",
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{
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"created_at": "2022-09-04T14:41:55.053387Z",
"structure_string": "Li1 V1 F6\n1.0\n2.720886 4.904706 0.000000\n-2.720886 4.904706 0.000000\n0.000000 1.555285 4.585412\nLi V F\n1 1 6\ndirect\n0.630304 0.630304 0.375682 Li\n0.003203 0.003203 0.989963 V\n0.171663 0.695960 0.820778 F\n0.167041 0.167041 0.695103 F\n0.307369 0.840669 0.184091 F\n0.695960 0.171663 0.820778 F\n0.832663 0.832663 0.298353 F\n0.840669 0.307369 0.184091 F\n",
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"elements": [
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"formula_full": "Li1 V1 F6",
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{
"id": "mp-1210285",
"created_at": "2022-09-04T14:41:55.106324Z",
"structure_string": "Na8 Zr6 B1 Br20\n1.0\n0.000000 7.946437 7.946437\n7.946437 0.000000 7.946437\n7.946437 7.946437 0.000000\nNa Zr B Br\n8 6 1 20\ndirect\n0.360447 0.360447 0.360447 Na\n0.639553 0.639553 0.639553 Na\n0.360447 0.360447 0.918659 Na\n0.360447 0.918659 0.360447 Na\n0.639553 0.639553 0.081341 Na\n0.639553 0.081341 0.639553 Na\n0.918659 0.360447 0.360447 Na\n0.081341 0.639553 0.639553 Na\n0.854045 0.145955 0.145955 Zr\n0.145955 0.854045 0.854045 Zr\n0.145955 0.854045 0.145955 Zr\n0.854045 0.145955 0.854045 Zr\n0.145955 0.145955 0.854045 Zr\n0.854045 0.854045 0.145955 Zr\n0.000000 0.000000 0.000000 B\n0.340013 0.000000 0.000000 Br\n0.659987 0.000000 0.000000 Br\n0.000000 0.340013 0.659987 Br\n0.000000 0.659987 0.340013 Br\n0.000000 0.340013 0.000000 Br\n0.659987 0.000000 0.340013 Br\n0.000000 0.659987 0.000000 Br\n0.340013 0.000000 0.659987 Br\n0.000000 0.000000 0.340013 Br\n0.000000 0.000000 0.659987 Br\n0.659987 0.340013 0.000000 Br\n0.340013 0.659987 0.000000 Br\n0.672789 0.327211 0.327211 Br\n0.327211 0.672789 0.672789 Br\n0.327211 0.672789 0.327211 Br\n0.672789 0.327211 0.672789 Br\n0.327211 0.327211 0.672789 Br\n0.672789 0.672789 0.327211 Br\n0.250000 0.250000 0.250000 Br\n0.750000 0.750000 0.750000 Br\n",
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{
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"structure_string": "Ho2 Ga4 Pd2\n1.0\n2.214336 -5.071583 0.000000\n2.214336 5.071583 0.000000\n0.000000 0.000000 6.604908\nHo Ga Pd\n2 4 2\ndirect\n0.088608 0.911392 0.250000 Ho\n0.911392 0.088608 0.750000 Ho\n0.373013 0.626987 0.052712 Ga\n0.626987 0.373013 0.552712 Ga\n0.626987 0.373013 0.947288 Ga\n0.373013 0.626987 0.447288 Ga\n0.800057 0.199943 0.250000 Pd\n0.199943 0.800057 0.750000 Pd\n",
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{
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"structure_string": "Cs4 H4 Se4 O16\n1.0\n8.686159 0.000000 0.000000\n0.000000 7.963980 0.000000\n0.000000 2.854274 7.640624\nCs H Se O\n4 4 4 16\ndirect\n0.625164 0.293741 0.706076 Cs\n0.125164 0.206259 0.293924 Cs\n0.374836 0.706259 0.293924 Cs\n0.874836 0.793741 0.706076 Cs\n0.292423 0.038411 0.889635 H\n0.792423 0.461589 0.110365 H\n0.707577 0.961589 0.110365 H\n0.207577 0.538411 0.889635 H\n0.127623 0.279329 0.755810 Se\n0.627623 0.220671 0.244190 Se\n0.872377 0.720671 0.244190 Se\n0.372377 0.779329 0.755810 Se\n0.212055 0.106986 0.934829 O\n0.712055 0.393014 0.065171 O\n0.787945 0.893014 0.065171 O\n0.287945 0.606986 0.934829 O\n0.427598 0.923523 0.852170 O\n0.927598 0.576477 0.147830 O\n0.572402 0.076477 0.147830 O\n0.072402 0.423523 0.852170 O\n0.520503 0.695312 0.684333 O\n0.020503 0.804688 0.315667 O\n0.479497 0.304688 0.315667 O\n0.979497 0.195312 0.684333 O\n0.236373 0.858434 0.607075 O\n0.736373 0.641566 0.392925 O\n0.763627 0.141566 0.392925 O\n0.263627 0.358434 0.607075 O\n",
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{
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"created_at": "2022-09-04T14:41:55.181615Z",
"structure_string": "Rb2 Tl1 Ir1 F6\n1.0\n0.000000 4.667040 4.667040\n4.667040 0.000000 4.667040\n4.667040 4.667040 0.000000\nRb Tl Ir F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Ir\n0.781247 0.218753 0.218753 F\n0.218753 0.218753 0.781247 F\n0.218753 0.781247 0.781247 F\n0.218753 0.781247 0.218753 F\n0.781247 0.218753 0.781247 F\n0.781247 0.781247 0.218753 F\n",
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{
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"structure_string": "K2 Mg1 F4\n1.0\n-2.017601 2.017601 6.675240\n2.017601 -2.017601 6.675240\n2.017601 2.017601 -6.675240\nK Mg F\n2 1 4\ndirect\n0.648165 0.648165 0.000000 K\n0.351835 0.351835 0.000000 K\n0.000000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 F\n0.000000 0.500000 0.500000 F\n0.847887 0.847887 0.000000 F\n0.152113 0.152113 0.000000 F\n",
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{
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"structure_string": "Ba4 P14 I2\n1.0\n7.038904 0.000000 0.000000\n0.000000 6.460412 0.000000\n0.000000 1.256525 12.184809\nBa P I\n4 14 2\ndirect\n0.750000 0.302801 0.049672 Ba\n0.250000 0.697199 0.950328 Ba\n0.750000 0.075242 0.638852 Ba\n0.250000 0.924758 0.361148 Ba\n0.750000 0.500906 0.446588 P\n0.250000 0.499094 0.553412 P\n0.750000 0.834792 0.224965 P\n0.250000 0.165208 0.775035 P\n0.750000 0.834756 0.404467 P\n0.250000 0.165244 0.595533 P\n0.507296 0.632218 0.200382 P\n0.007296 0.367782 0.799618 P\n0.492704 0.367782 0.799618 P\n0.992704 0.632218 0.200382 P\n0.582811 0.366791 0.314310 P\n0.082811 0.633209 0.685690 P\n0.417189 0.633209 0.685690 P\n0.917189 0.366791 0.314310 P\n0.750000 0.843421 0.913077 I\n0.250000 0.156579 0.086923 I\n",
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}