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{
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{
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{
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"structure_string": "Sr5 Mn5 O13\n1.0\n3.869698 -0.000017 0.000095\n-0.000039 8.780704 -0.000352\n0.000215 -0.000331 8.780532\nSr Mn O\n5 5 13\ndirect\n0.499999 0.282070 0.112197 Sr\n0.500041 0.887733 0.282095 Sr\n0.500053 0.112161 0.718037 Sr\n0.500019 0.718018 0.887766 Sr\n0.499951 0.500022 0.500006 Sr\n0.999945 0.198360 0.399742 Mn\n0.999984 0.801703 0.600374 Mn\n0.000009 0.600293 0.198328 Mn\n0.999993 0.399671 0.801705 Mn\n0.000007 0.999997 0.999884 Mn\n0.999998 0.712407 0.401657 O\n0.000035 0.787891 0.072970 O\n0.499887 0.837135 0.584449 O\n0.000021 0.072905 0.212199 O\n0.999996 0.598382 0.712408 O\n0.000011 0.287628 0.598419 O\n0.000015 0.212114 0.927165 O\n0.500009 0.162988 0.415468 O\n0.499877 0.415518 0.836977 O\n0.499996 0.584496 0.162834 O\n0.000029 0.927103 0.787974 O\n0.500135 0.999786 0.999718 O\n0.999991 0.401618 0.287628 O\n",
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{
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"structure_string": "Mg6 Cu12 O24\n1.0\n2.979537 5.103077 0.000000\n-2.979537 5.103077 0.000000\n0.000000 0.076960 14.505949\nMg Cu O\n6 12 24\ndirect\n0.656457 0.656457 0.040858 Mg\n0.333406 0.333406 0.332855 Mg\n0.165179 0.165179 0.166667 Mg\n0.667157 0.667157 0.666471 Mg\n0.500206 0.500206 0.499810 Mg\n0.834524 0.834524 0.833123 Mg\n0.164934 0.667696 0.167824 Cu\n0.993211 0.993211 0.379832 Cu\n0.000318 0.000318 0.000606 Cu\n0.667696 0.164934 0.167824 Cu\n0.500035 0.000277 0.499909 Cu\n0.326475 0.326475 0.708354 Cu\n0.000277 0.500035 0.499909 Cu\n0.833117 0.334978 0.831950 Cu\n0.673428 0.673428 0.290798 Cu\n0.334978 0.833117 0.831950 Cu\n0.007473 0.007473 0.621367 Cu\n0.337053 0.337053 0.958176 Cu\n0.293457 0.842391 0.086211 O\n0.994657 0.994657 0.246482 O\n0.842391 0.293457 0.086211 O\n0.843121 0.843121 0.087536 O\n0.639299 0.168517 0.422723 O\n0.497968 0.497968 0.242530 O\n0.327827 0.327827 0.576691 O\n0.500150 0.023597 0.242557 O\n0.168517 0.639299 0.422723 O\n0.341223 0.341223 0.091845 O\n0.172425 0.172425 0.421958 O\n0.023597 0.500150 0.242557 O\n0.978754 0.501189 0.755873 O\n0.828395 0.828395 0.577976 O\n0.832721 0.360080 0.577048 O\n0.501189 0.978754 0.755873 O\n0.659323 0.659323 0.902721 O\n0.672507 0.672507 0.422620 O\n0.501326 0.501326 0.753187 O\n0.360080 0.832721 0.577048 O\n0.160618 0.160618 0.917362 O\n0.162105 0.703192 0.916576 O\n0.009412 0.009412 0.758392 O\n0.703192 0.162105 0.916576 O\n",
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"density": 4.864946994993241,
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"volume": 441.1203021156582,
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"formula_full": "Mg6 Cu12 O24",
"formula_reduced": "Mg(CuO2)2",
"formula_anonymous": "AB2C4",
"energy": -237.16220032000004,
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"updated_at": "2021-11-28T01:37:48.883000Z",
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{
"id": "mp-1049290",
"created_at": "2022-09-04T14:46:58.831356Z",
"structure_string": "Ca2 Ho2 Ti4 O12\n1.0\n5.364661 0.000000 0.000000\n0.000000 5.578517 0.000000\n0.000000 0.000000 7.698801\nCa Ho Ti O\n2 2 4 12\ndirect\n0.488581 0.197448 0.000000 Ca\n0.988581 0.802552 0.500000 Ca\n0.018410 0.685817 0.000000 Ho\n0.518410 0.314183 0.500000 Ho\n0.000375 0.246287 0.750052 Ti\n0.000375 0.246287 0.249948 Ti\n0.500375 0.753713 0.250052 Ti\n0.500375 0.753713 0.749948 Ti\n0.109468 0.221945 0.500000 O\n0.193504 0.946971 0.803955 O\n0.193504 0.946971 0.196045 O\n0.291075 0.461914 0.799223 O\n0.291075 0.461914 0.200777 O\n0.413633 0.716250 0.500000 O\n0.609468 0.778055 0.000000 O\n0.693504 0.053029 0.303955 O\n0.693504 0.053029 0.696045 O\n0.791075 0.538086 0.700777 O\n0.791075 0.538086 0.299223 O\n0.913633 0.283750 0.000000 O\n",
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"elements": [
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],
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"density": 5.718729340570988,
"density_atomic": 0.08680522301720854,
"volume": 230.40088262932218,
"volume_molar": 6.9375327321100855,
"formula_full": "Ca2 Ho2 Ti4 O12",
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"formula_anonymous": "ABC2D6",
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},
{
"id": "mp-1237948",
"created_at": "2022-09-04T14:46:57.019877Z",
"structure_string": "Pm2 Mg2 Se6\n1.0\n6.256902 3.878985 0.000000\n-6.256902 3.878985 0.000000\n0.000000 3.067435 6.111892\nPm Mg Se\n2 2 6\ndirect\n0.803587 0.803587 0.309278 Pm\n0.196413 0.196413 0.690722 Pm\n0.332884 0.667116 0.000000 Mg\n0.667116 0.332884 0.000000 Mg\n0.233118 0.890334 0.216085 Se\n0.766882 0.109666 0.783915 Se\n0.109666 0.766882 0.783915 Se\n0.890334 0.233118 0.216085 Se\n0.532415 0.532415 0.746987 Se\n0.467585 0.467585 0.253013 Se\n",
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"formula_full": "Pm2 Mg2 Se6",
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"updated_at": "2021-11-28T01:37:48.884000Z",
"spacegroup": 12
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]
}