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{
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{
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"structure_string": "Ti1 Mn1 H12 O6 F6\n1.0\n-4.965979 2.867125 3.271177\n-0.000038 -5.733463 3.270418\n4.966008 2.867166 3.271219\nTi Mn H O F\n1 1 12 6 6\ndirect\n0.500036 0.499968 0.499963 Ti\n0.000041 0.999864 0.999499 Mn\n0.690154 0.662376 0.976990 H\n0.309996 0.337836 0.022992 H\n0.785641 0.236402 0.262884 H\n0.763583 0.737071 0.214291 H\n0.262960 0.785686 0.236469 H\n0.022888 0.309948 0.337763 H\n0.337777 0.022939 0.310041 H\n0.662225 0.976986 0.690283 H\n0.976969 0.690227 0.662379 H\n0.737080 0.214343 0.763754 H\n0.236364 0.262928 0.785723 H\n0.214318 0.763728 0.737057 H\n0.746362 0.785661 0.079360 O\n0.920661 0.253570 0.214441 O\n0.214490 0.920593 0.253655 O\n0.785572 0.079351 0.746581 O\n0.079349 0.746464 0.785634 O\n0.253608 0.214477 0.920666 O\n0.374006 0.548220 0.239106 F\n0.548174 0.238818 0.373613 F\n0.760904 0.625998 0.451839 F\n0.239024 0.373873 0.548157 F\n0.451799 0.760888 0.625935 F\n0.626016 0.451786 0.760924 F\n",
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{
"id": "mp-1193343",
"created_at": "2022-09-04T14:46:11.031588Z",
"structure_string": "Ca2 Tl2 Cl10 O14\n1.0\n5.233401 7.516054 0.000000\n-5.233401 7.516054 0.000000\n0.000000 1.380072 9.468357\nCa Tl Cl O\n2 2 10 14\ndirect\n0.737671 0.737671 0.381992 Ca\n0.262329 0.262329 0.618008 Ca\n0.185750 0.814250 0.000000 Tl\n0.814250 0.185750 0.000000 Tl\n0.300728 0.950465 0.408244 Cl\n0.950465 0.300728 0.408244 Cl\n0.699272 0.049535 0.591756 Cl\n0.049535 0.699272 0.591756 Cl\n0.473541 0.194341 0.129586 Cl\n0.194341 0.473541 0.129586 Cl\n0.526459 0.805659 0.870414 Cl\n0.805659 0.526459 0.870414 Cl\n0.859944 0.859944 0.130460 Cl\n0.140056 0.140056 0.869540 Cl\n0.482311 0.842271 0.387693 O\n0.842271 0.482311 0.387693 O\n0.517689 0.157729 0.612307 O\n0.157729 0.517689 0.612307 O\n0.533661 0.394054 0.368074 O\n0.394054 0.533661 0.368074 O\n0.466339 0.605946 0.631926 O\n0.605946 0.466339 0.631926 O\n0.826512 0.826512 0.556049 O\n0.173488 0.173488 0.443951 O\n0.300380 0.300380 0.221694 O\n0.699620 0.699620 0.778306 O\n0.540754 0.540754 0.292984 O\n0.459246 0.459246 0.707016 O\n",
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"formula_full": "Ca2 Tl2 Cl10 O14",
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{
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"created_at": "2022-09-04T14:46:11.034302Z",
"structure_string": "Ba1 Mg6 Mn1 O8\n1.0\n8.891513 0.000000 0.000000\n0.000000 4.672865 0.000000\n0.000000 0.000000 4.672865\nBa Mg Mn O\n1 6 1 8\ndirect\n0.000000 0.500000 0.500000 Ba\n0.500000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.268580 0.000000 0.500000 Mg\n0.731420 0.000000 0.500000 Mg\n0.268580 0.500000 0.000000 Mg\n0.731420 0.500000 0.000000 Mg\n0.000000 0.000000 0.000000 Mn\n0.260116 0.000000 0.000000 O\n0.739884 0.000000 0.000000 O\n0.283038 0.500000 0.500000 O\n0.716962 0.500000 0.500000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.500000 0.000000 O\n",
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"volume": 194.1521197347576,
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"formula_full": "Ba1 Mg6 Mn1 O8",
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"formula_anonymous": "ABC6D8",
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{
"id": "mp-8884",
"created_at": "2022-09-04T14:46:11.043267Z",
"structure_string": "Zn2 Te2\n1.0\n2.182745 -3.780624 0.000000\n2.182745 3.780624 0.000000\n0.000000 0.000000 7.179232\nZn Te\n2 2\ndirect\n0.333333 0.666667 0.000482 Zn\n0.666667 0.333333 0.500482 Zn\n0.333333 0.666667 0.374518 Te\n0.666667 0.333333 0.874518 Te\n",
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{
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"created_at": "2022-09-04T14:46:11.046247Z",
"structure_string": "Lu6 B2 C6\n1.0\n2.491764 -2.508847 0.000000\n2.491764 2.508847 0.000000\n0.000000 0.000000 15.707786\nLu B C\n6 2 6\ndirect\n0.583539 0.416461 0.395834 Lu\n0.416461 0.583539 0.895834 Lu\n0.416461 0.583539 0.604166 Lu\n0.583539 0.416461 0.104166 Lu\n0.910266 0.089734 0.750000 Lu\n0.089734 0.910266 0.250000 Lu\n0.000000 0.000000 0.500000 B\n0.000000 0.000000 0.000000 B\n0.095509 0.904491 0.412308 C\n0.904491 0.095509 0.912308 C\n0.904491 0.095509 0.587692 C\n0.095509 0.904491 0.087692 C\n0.598086 0.401914 0.250000 C\n0.401914 0.598086 0.750000 C\n",
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{
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{
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{
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{
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},
{
"id": "mp-1042208",
"created_at": "2022-09-04T14:46:10.273404Z",
"structure_string": "Ba1 Ta1 Cu1 O5\n1.0\n3.805335 0.000000 0.000000\n0.000000 3.805335 0.000000\n0.000000 0.000000 9.172854\nBa Ta Cu O\n1 1 1 5\ndirect\n0.500000 0.500000 0.029303 Ba\n0.000000 0.000000 0.708395 Ta\n0.000000 0.000000 0.275306 Cu\n0.500000 0.000000 0.663610 O\n0.000000 0.500000 0.663610 O\n0.500000 0.000000 0.235675 O\n0.000000 0.500000 0.235675 O\n0.000000 0.000000 0.912297 O\n",
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],
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"formula_full": "Ba1 Ta1 Cu1 O5",
"formula_reduced": "BaTaCuO5",
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}
]
}