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{
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{
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"formula_full": "Mn8 Be6 Si6 Se2 O24",
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{
"id": "mp-3138",
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"structure_string": "Na16 Sn2 Sb8\n1.0\n0.000000 7.466559 7.466559\n7.466559 0.000000 7.466559\n7.466559 7.466559 0.000000\nNa Sn Sb\n16 2 8\ndirect\n0.625000 0.125000 0.625000 Na\n0.625000 0.625000 0.125000 Na\n0.125000 0.625000 0.625000 Na\n0.625000 0.625000 0.625000 Na\n0.020255 0.020255 0.479745 Na\n0.770255 0.229745 0.229745 Na\n0.229745 0.770255 0.770255 Na\n0.770255 0.770255 0.229745 Na\n0.770255 0.229745 0.770255 Na\n0.229745 0.770255 0.229745 Na\n0.479745 0.020255 0.479745 Na\n0.479745 0.020255 0.020255 Na\n0.020255 0.479745 0.479745 Na\n0.020255 0.479745 0.020255 Na\n0.229745 0.229745 0.770255 Na\n0.479745 0.479745 0.020255 Na\n0.500000 0.500000 0.500000 Sn\n0.750000 0.750000 0.750000 Sn\n0.415397 0.861534 0.861534 Sb\n0.861534 0.861534 0.861534 Sb\n0.834603 0.388466 0.388466 Sb\n0.388466 0.388466 0.388466 Sb\n0.388466 0.388466 0.834603 Sb\n0.861534 0.415397 0.861534 Sb\n0.861534 0.861534 0.415397 Sb\n0.388466 0.834603 0.388466 Sb\n",
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{
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"created_at": "2022-09-04T14:47:04.709244Z",
"structure_string": "Mg6 Ta12 Cu6 O42\n1.0\n8.314306 0.000000 0.000000\n0.000000 10.787560 0.000000\n0.000000 1.063286 10.771545\nMg Ta Cu O\n6 12 6 42\ndirect\n0.441031 0.573470 0.870436 Mg\n0.947113 0.750000 0.500000 Mg\n0.441031 0.926530 0.129564 Mg\n0.052887 0.250000 0.500000 Mg\n0.558969 0.426530 0.129564 Mg\n0.558969 0.073470 0.870436 Mg\n0.207818 0.290322 0.826962 Ta\n0.751941 0.373074 0.835343 Ta\n0.248059 0.873074 0.835343 Ta\n0.792182 0.790322 0.826962 Ta\n0.291879 0.972302 0.510094 Ta\n0.751941 0.126926 0.164657 Ta\n0.708121 0.472302 0.510094 Ta\n0.248059 0.626926 0.164657 Ta\n0.291879 0.527698 0.489906 Ta\n0.708121 0.027698 0.489906 Ta\n0.792182 0.709678 0.173038 Ta\n0.207818 0.209678 0.173038 Ta\n0.909137 0.419208 0.210213 Cu\n0.090863 0.580792 0.789787 Cu\n0.413320 0.250000 0.500000 Cu\n0.909137 0.080792 0.789787 Cu\n0.586680 0.750000 0.500000 Cu\n0.090863 0.919208 0.210213 Cu\n0.727427 0.962505 0.794797 O\n0.748820 0.300982 0.154731 O\n0.841963 0.750000 0.000000 O\n0.890070 0.114566 0.508386 O\n0.392121 0.563303 0.057318 O\n0.936056 0.706217 0.727590 O\n0.333814 0.942842 0.684385 O\n0.109930 0.614566 0.508386 O\n0.757666 0.859516 0.547781 O\n0.392121 0.936697 0.942682 O\n0.757666 0.640484 0.452219 O\n0.460144 0.891477 0.437177 O\n0.961914 0.068798 0.157313 O\n0.063944 0.206217 0.727590 O\n0.666186 0.057158 0.315615 O\n0.333814 0.557158 0.315615 O\n0.936056 0.793783 0.272410 O\n0.607879 0.436697 0.942682 O\n0.272573 0.462505 0.794797 O\n0.539856 0.108523 0.562823 O\n0.395590 0.294507 0.181251 O\n0.242334 0.140484 0.452219 O\n0.038086 0.568798 0.157313 O\n0.242334 0.359516 0.547781 O\n0.890070 0.385434 0.491614 O\n0.539856 0.391477 0.437177 O\n0.109930 0.885434 0.491614 O\n0.604410 0.794507 0.181251 O\n0.604410 0.705493 0.818749 O\n0.038086 0.931202 0.842687 O\n0.063944 0.293783 0.272410 O\n0.727427 0.537495 0.205203 O\n0.158037 0.250000 0.000000 O\n0.251180 0.800982 0.154731 O\n0.607879 0.063303 0.057318 O\n0.961914 0.431202 0.842687 O\n0.272573 0.037495 0.205203 O\n0.748820 0.199018 0.845269 O\n0.460144 0.608523 0.562823 O\n0.666186 0.442842 0.684385 O\n0.251180 0.699018 0.845269 O\n0.395590 0.205493 0.818749 O\n",
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{
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"structure_string": "Ca1 Mg30 Ni1 O32\n1.0\n8.556922 0.000000 0.000000\n0.000000 8.556922 0.000000\n0.000000 0.000000 8.557763\nCa Mg Ni O\n1 30 1 32\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.500000 0.000000 Mg\n0.500000 0.000000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.253522 0.253522 0.000000 Mg\n0.253522 0.746478 0.000000 Mg\n0.746478 0.253522 0.000000 Mg\n0.746478 0.746478 0.000000 Mg\n0.250320 0.250320 0.500000 Mg\n0.250320 0.749680 0.500000 Mg\n0.749680 0.250320 0.500000 Mg\n0.749680 0.749680 0.500000 Mg\n0.000000 0.253066 0.252760 Mg\n0.000000 0.746934 0.252760 Mg\n0.500000 0.250751 0.249594 Mg\n0.500000 0.749249 0.249594 Mg\n0.000000 0.253066 0.747240 Mg\n0.000000 0.746934 0.747240 Mg\n0.500000 0.250751 0.750406 Mg\n0.500000 0.749249 0.750406 Mg\n0.253066 0.000000 0.252760 Mg\n0.250751 0.500000 0.249594 Mg\n0.746934 0.000000 0.252760 Mg\n0.749249 0.500000 0.249594 Mg\n0.253066 0.000000 0.747240 Mg\n0.250751 0.500000 0.750406 Mg\n0.746934 0.000000 0.747240 Mg\n0.749249 0.500000 0.750406 Mg\n0.500000 0.500000 0.000000 Ni\n0.000000 0.000000 0.262305 O\n0.000000 0.500000 0.251817 O\n0.500000 0.000000 0.251817 O\n0.500000 0.500000 0.251232 O\n0.000000 0.000000 0.737695 O\n0.000000 0.500000 0.748183 O\n0.500000 0.000000 0.748183 O\n0.500000 0.500000 0.748768 O\n0.250047 0.250047 0.249511 O\n0.250047 0.749953 0.249511 O\n0.749953 0.250047 0.249511 O\n0.749953 0.749953 0.249511 O\n0.250047 0.250047 0.750489 O\n0.250047 0.749953 0.750489 O\n0.749953 0.250047 0.750489 O\n0.749953 0.749953 0.750489 O\n0.000000 0.262470 0.000000 O\n0.000000 0.737530 0.000000 O\n0.500000 0.251111 0.000000 O\n0.500000 0.748889 0.000000 O\n0.000000 0.252059 0.500000 O\n0.000000 0.747941 0.500000 O\n0.500000 0.250652 0.500000 O\n0.500000 0.749348 0.500000 O\n0.262470 0.000000 0.000000 O\n0.251111 0.500000 0.000000 O\n0.737530 0.000000 0.000000 O\n0.748889 0.500000 0.000000 O\n0.252059 0.000000 0.500000 O\n0.250652 0.500000 0.500000 O\n0.747941 0.000000 0.500000 O\n0.749348 0.500000 0.500000 O\n",
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{
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