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{
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{
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"structure_string": "Sr1 Mg30 Mn1 O32\n1.0\n8.615122 0.000000 0.000000\n0.000000 8.615122 0.000000\n0.000000 0.000000 8.613641\nSr Mg Mn O\n1 30 1 32\ndirect\n0.500000 0.500000 0.000000 Sr\n0.500000 0.000000 0.000000 Mg\n0.000000 0.500000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.246051 0.246051 0.000000 Mg\n0.753949 0.246051 0.000000 Mg\n0.246051 0.753949 0.000000 Mg\n0.753949 0.753949 0.000000 Mg\n0.249772 0.249772 0.500000 Mg\n0.750228 0.249772 0.500000 Mg\n0.249772 0.750228 0.500000 Mg\n0.750228 0.750228 0.500000 Mg\n0.250751 0.000000 0.251134 Mg\n0.749249 0.000000 0.251134 Mg\n0.245015 0.500000 0.254864 Mg\n0.754985 0.500000 0.254864 Mg\n0.250751 0.000000 0.748866 Mg\n0.749249 0.000000 0.748866 Mg\n0.245015 0.500000 0.745136 Mg\n0.754985 0.500000 0.745136 Mg\n0.000000 0.250751 0.251134 Mg\n0.500000 0.245015 0.254864 Mg\n0.000000 0.749249 0.251134 Mg\n0.500000 0.754985 0.254864 Mg\n0.000000 0.250751 0.748866 Mg\n0.500000 0.245015 0.745136 Mg\n0.000000 0.749249 0.748866 Mg\n0.500000 0.754985 0.745136 Mg\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.256648 O\n0.500000 0.000000 0.254320 O\n0.000000 0.500000 0.254320 O\n0.500000 0.500000 0.269988 O\n0.000000 0.000000 0.743352 O\n0.500000 0.000000 0.745680 O\n0.000000 0.500000 0.745680 O\n0.500000 0.500000 0.730012 O\n0.250225 0.250225 0.249297 O\n0.749775 0.250225 0.249297 O\n0.250225 0.749775 0.249297 O\n0.749775 0.749775 0.249297 O\n0.250225 0.250225 0.750703 O\n0.749775 0.250225 0.750703 O\n0.250225 0.749775 0.750703 O\n0.749775 0.749775 0.750703 O\n0.252782 0.000000 0.000000 O\n0.747218 0.000000 0.000000 O\n0.230632 0.500000 0.000000 O\n0.769368 0.500000 0.000000 O\n0.250286 0.000000 0.500000 O\n0.749714 0.000000 0.500000 O\n0.246533 0.500000 0.500000 O\n0.753467 0.500000 0.500000 O\n0.000000 0.252782 0.000000 O\n0.500000 0.230632 0.000000 O\n0.000000 0.747218 0.000000 O\n0.500000 0.769368 0.000000 O\n0.000000 0.250286 0.500000 O\n0.500000 0.246533 0.500000 O\n0.000000 0.749714 0.500000 O\n0.500000 0.753467 0.500000 O\n",
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"elements": [
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"formula_full": "Sr1 Mg30 Mn1 O32",
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},
{
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"created_at": "2022-09-04T14:41:05.796110Z",
"structure_string": "Fe3 Ge1\n1.0\n3.635007 0.000000 0.000000\n0.000000 3.635007 0.000000\n0.000000 0.000000 3.635007\nFe Ge\n3 1\ndirect\n0.000000 0.500000 0.500000 Fe\n0.500000 0.500000 0.000000 Fe\n0.500000 0.000000 0.500000 Fe\n0.000000 0.000000 0.000000 Ge\n",
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"chemical_system": "Fe-Ge",
"density": 8.303499087293062,
"density_atomic": 0.08328067504359896,
"volume": 48.030350353259344,
"volume_molar": 7.231138264486088,
"formula_full": "Fe3 Ge1",
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"energy": -30.43138699,
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"updated_at": "2021-11-28T01:35:00.697000Z",
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},
{
"id": "mp-1193172",
"created_at": "2022-09-04T14:41:05.727473Z",
"structure_string": "Li8 Mn4 S8 O32\n1.0\n0.000004 8.435790 -0.000005\n-0.039660 0.000005 -9.033977\n-8.688875 -0.000002 -3.795543\nLi Mn S O\n8 4 8 32\ndirect\n0.866716 0.406256 0.989468 Li\n0.866717 0.906257 0.489468 Li\n0.366718 0.093745 0.010532 Li\n0.366718 0.593743 0.510533 Li\n0.133283 0.593743 0.010533 Li\n0.133281 0.093744 0.510533 Li\n0.633283 0.906257 0.989467 Li\n0.633285 0.406256 0.489468 Li\n0.500001 0.999999 0.499997 Mn\n0.999999 0.000002 0.999998 Mn\n0.499993 0.499996 0.999999 Mn\n0.000000 0.499995 0.500006 Mn\n0.196523 0.367212 0.837011 S\n0.196519 0.867209 0.337006 S\n0.696522 0.632787 0.662990 S\n0.696523 0.132793 0.162990 S\n0.803479 0.632782 0.162998 S\n0.803476 0.132796 0.662990 S\n0.303479 0.367216 0.337005 S\n0.303481 0.867208 0.837007 S\n0.085518 0.438812 0.912512 O\n0.085516 0.938807 0.412517 O\n0.585518 0.561190 0.587488 O\n0.585515 0.061193 0.087483 O\n0.914482 0.561190 0.087486 O\n0.914486 0.061192 0.587482 O\n0.414482 0.438811 0.412514 O\n0.414484 0.938808 0.912518 O\n0.359448 0.352493 0.904299 O\n0.359448 0.852483 0.404304 O\n0.859449 0.147513 0.095696 O\n0.859448 0.647508 0.595700 O\n0.640551 0.647508 0.095699 O\n0.640551 0.147512 0.595695 O\n0.140552 0.852486 0.904305 O\n0.140551 0.352492 0.404302 O\n0.147499 0.199545 0.862569 O\n0.147501 0.699551 0.362566 O\n0.647500 0.300451 0.137432 O\n0.647500 0.800456 0.637430 O\n0.852499 0.800456 0.137430 O\n0.852502 0.300453 0.637431 O\n0.352502 0.699549 0.862569 O\n0.352499 0.199544 0.362570 O\n0.200456 0.468944 0.667763 O\n0.200454 0.968941 0.167761 O\n0.700455 0.531057 0.832236 O\n0.700452 0.031058 0.332240 O\n0.799547 0.531059 0.332236 O\n0.799548 0.031058 0.832241 O\n0.299546 0.468943 0.167764 O\n0.299546 0.968942 0.667761 O\n",
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}
]
}