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{
"id": "mp-1042787",
"created_at": "2022-09-04T14:43:34.490844Z",
"structure_string": "Zn4 Cr4 As8 O28\n1.0\n8.656192 0.000000 0.000000\n0.000000 7.359772 0.000000\n0.000000 3.807835 9.023110\nZn Cr As O\n4 4 8 28\ndirect\n0.070257 0.730079 0.896260 Zn\n0.570257 0.269921 0.603740 Zn\n0.929743 0.269921 0.103740 Zn\n0.429743 0.730079 0.396260 Zn\n0.943849 0.200504 0.667130 Cr\n0.443849 0.799496 0.832870 Cr\n0.056151 0.799496 0.332870 Cr\n0.556151 0.200504 0.167130 Cr\n0.774360 0.564609 0.749400 As\n0.274360 0.435391 0.750600 As\n0.225640 0.435391 0.250600 As\n0.725640 0.564609 0.249400 As\n0.727979 0.969163 0.962920 As\n0.227979 0.030837 0.537080 As\n0.272021 0.030837 0.037080 As\n0.772021 0.969163 0.462920 As\n0.734501 0.135381 0.047041 O\n0.234501 0.864619 0.452959 O\n0.265499 0.864619 0.952959 O\n0.765499 0.135381 0.547041 O\n0.596845 0.642945 0.765725 O\n0.096845 0.357055 0.734275 O\n0.403155 0.357055 0.234275 O\n0.903155 0.642945 0.265725 O\n0.899257 0.533838 0.893009 O\n0.399257 0.466162 0.606991 O\n0.100743 0.466162 0.106991 O\n0.600743 0.533838 0.393009 O\n0.861110 0.746106 0.587593 O\n0.361110 0.253894 0.912407 O\n0.138890 0.253894 0.412407 O\n0.638890 0.746106 0.087593 O\n0.912822 0.022501 0.329687 O\n0.412822 0.977499 0.170313 O\n0.087178 0.977499 0.670313 O\n0.587178 0.022501 0.829687 O\n0.735928 0.363754 0.201174 O\n0.235928 0.636246 0.298826 O\n0.264072 0.636246 0.798826 O\n0.764072 0.363754 0.701174 O\n0.596805 0.936523 0.399828 O\n0.096805 0.063477 0.100172 O\n0.403195 0.063477 0.600172 O\n0.903195 0.936523 0.899828 O\n",
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"spacegroup": 14
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{
"id": "mp-1223369",
"created_at": "2022-09-04T14:43:34.635254Z",
"structure_string": "La4 Cr2 Fe2 O12\n1.0\n-0.000002 -5.601910 0.000008\n-5.604499 -0.000002 -0.000521\n-0.000800 0.000011 -7.912379\nLa Cr Fe O\n4 2 2 12\ndirect\n0.471441 0.492184 0.750033 La\n0.971425 0.007814 0.749959 La\n0.528574 0.507829 0.249984 La\n0.028575 0.992194 0.250046 La\n0.500010 0.999989 0.500012 Cr\n0.999967 0.499996 0.999992 Cr\n0.499999 0.999993 0.999998 Fe\n0.000004 0.500008 0.500002 Fe\n0.015694 0.581762 0.750388 O\n0.515690 0.918237 0.749606 O\n0.984310 0.418240 0.249610 O\n0.484311 0.081766 0.250387 O\n0.218526 0.219414 0.955795 O\n0.718521 0.280587 0.544196 O\n0.780866 0.781012 0.455912 O\n0.280865 0.718985 0.044090 O\n0.781476 0.780577 0.044203 O\n0.281480 0.719414 0.455792 O\n0.219131 0.218982 0.544081 O\n0.719133 0.281018 0.955911 O\n",
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"elements": [
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"volume": 248.41624954364548,
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"formula_full": "La4 Cr2 Fe2 O12",
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{
"id": "mp-16933",
"created_at": "2022-09-04T14:43:35.074384Z",
"structure_string": "Li2 Fe2 W4 O16\n1.0\n5.777082 4.716201 0.000000\n-5.777082 4.716201 0.000000\n0.000000 0.100617 5.016930\nLi Fe W O\n2 2 4 16\ndirect\n0.841765 0.158235 0.250000 Li\n0.158235 0.841765 0.750000 Li\n0.670825 0.329175 0.750000 Fe\n0.329175 0.670825 0.250000 Fe\n0.839434 0.663078 0.244101 W\n0.336922 0.160566 0.255899 W\n0.160566 0.336922 0.755899 W\n0.663078 0.839434 0.744101 W\n0.696775 0.577490 0.922695 O\n0.422510 0.303225 0.577305 O\n0.303225 0.422510 0.077305 O\n0.577490 0.696775 0.422695 O\n0.799478 0.437534 0.413484 O\n0.562466 0.200522 0.086516 O\n0.200522 0.562466 0.586516 O\n0.437534 0.799478 0.913484 O\n0.903507 0.806120 0.556122 O\n0.193880 0.096493 0.943878 O\n0.096493 0.193880 0.443878 O\n0.806120 0.903507 0.056122 O\n0.071768 0.683567 0.108874 O\n0.316433 0.928232 0.391126 O\n0.928232 0.316433 0.891126 O\n0.683567 0.071768 0.608874 O\n",
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"elements": [
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"formula_full": "Li2 Fe2 W4 O16",
"formula_reduced": "LiFe(WO4)2",
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{
"id": "mp-21144",
"created_at": "2022-09-04T14:43:35.122659Z",
"structure_string": "Tb4 Co4 Ge4\n1.0\n4.261303 0.000000 0.000000\n0.000000 6.952696 0.000000\n0.000000 0.000000 7.166386\nTb Co Ge\n4 4 4\ndirect\n0.250000 0.486958 0.695960 Tb\n0.750000 0.513042 0.304040 Tb\n0.250000 0.986958 0.804040 Tb\n0.750000 0.013042 0.195960 Tb\n0.750000 0.346145 0.931257 Co\n0.250000 0.153855 0.431257 Co\n0.750000 0.846145 0.568743 Co\n0.250000 0.653855 0.068743 Co\n0.250000 0.799935 0.399196 Ge\n0.750000 0.700065 0.899196 Ge\n0.250000 0.299935 0.100804 Ge\n0.750000 0.200065 0.600804 Ge\n",
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"chemical_system": "Co-Ge-Tb",
"density": 9.087767281022204,
"density_atomic": 0.0565178188200746,
"volume": 212.32241884992405,
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"formula_full": "Tb4 Co4 Ge4",
"formula_reduced": "TbCoGe",
"formula_anonymous": "ABC",
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"updated_at": "2021-11-28T01:36:20.226000Z",
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{
"id": "mp-1225224",
"created_at": "2022-09-04T14:43:36.948227Z",
"structure_string": "Fe3 Si2 Ni3\n1.0\n3.461195 0.000000 0.000000\n0.000000 3.624621 0.000000\n0.000000 0.000000 7.049848\nFe Si Ni\n3 2 3\ndirect\n0.500000 0.500000 0.253173 Fe\n0.500000 0.500000 0.746827 Fe\n0.000000 0.500000 0.500000 Fe\n0.000000 0.000000 0.247140 Si\n0.000000 0.000000 0.752860 Si\n0.000000 0.500000 0.000000 Ni\n0.500000 0.000000 0.500000 Ni\n0.500000 0.000000 0.000000 Ni\n",
"nsites": 8,
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"density": 7.505998494886454,
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"volume": 88.44400965971727,
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"formula_full": "Fe3 Si2 Ni3",
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"spacegroup": 47
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{
"id": "mp-1639498",
"created_at": "2022-09-04T14:43:34.628778Z",
"structure_string": "Li14 Mn8 Co2 O24\n1.0\n2.941517 0.084966 -0.396677\n-0.127127 9.717698 2.974304\n2.632733 0.148605 14.919522\nLi Mn Co O\n14 8 2 24\ndirect\n0.499998 0.000000 0.166666 Li\n0.999997 0.000001 0.666667 Li\n0.497322 0.254323 0.331883 Li\n0.000084 0.254174 0.831971 Li\n0.502673 0.745675 0.001451 Li\n0.999911 0.745828 0.501364 Li\n0.008326 0.757376 0.170488 Li\n0.506861 0.756562 0.670382 Li\n0.991671 0.242625 0.162848 Li\n0.493140 0.243443 0.662951 Li\n0.508341 0.242906 0.005516 Li\n0.007565 0.242239 0.505359 Li\n0.491669 0.757090 0.327821 Li\n0.992444 0.757759 0.827978 Li\n0.993224 0.003963 0.003713 Mn\n0.492286 0.003890 0.503817 Mn\n0.006777 0.996032 0.329613 Mn\n0.507715 0.996110 0.829523 Mn\n0.990897 0.501315 0.333380 Mn\n0.500689 0.501725 0.830988 Mn\n0.009127 0.498687 0.999949 Mn\n0.499309 0.498265 0.502344 Mn\n0.999997 0.500001 0.666666 Co\n0.500000 0.500000 0.166666 Co\n0.011431 0.105706 0.423490 O\n0.512357 0.105769 0.923382 O\n0.487642 0.894234 0.409952 O\n0.988570 0.894297 0.909842 O\n0.456109 0.619269 0.246064 O\n0.961963 0.618362 0.744401 O\n0.543887 0.380727 0.087270 O\n0.038032 0.381642 0.588932 O\n0.992418 0.117963 0.075927 O\n0.491730 0.118078 0.575963 O\n0.007583 0.882039 0.257409 O\n0.508270 0.881923 0.757371 O\n0.527108 0.107980 0.264281 O\n0.029526 0.108062 0.764340 O\n0.472892 0.892020 0.069052 O\n0.970473 0.891943 0.568992 O\n0.009458 0.615286 0.082438 O\n0.461771 0.615371 0.583658 O\n0.990540 0.384711 0.250895 O\n0.538222 0.384634 0.749674 O\n0.958274 0.616717 0.416727 O\n0.466001 0.616940 0.915055 O\n0.533994 0.383058 0.418280 O\n0.041724 0.383282 0.916605 O\n",
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"formula_full": "Li14 Mn8 Co2 O24",
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{
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"structure_string": "Na1 Eu1 Zr1 Sb1 O6\n1.0\n0.000000 -4.077964 -4.077964\n4.077964 0.000000 -4.077964\n4.077964 -4.077964 0.000000\nNa Eu Zr Sb O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.750000 Eu\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Sb\n0.756200 0.243800 0.243800 O\n0.243800 0.756200 0.756200 O\n0.756200 0.243800 0.756200 O\n0.243800 0.756200 0.243800 O\n0.756200 0.756200 0.243800 O\n0.243800 0.243800 0.756200 O\n",
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"formula_full": "Na1 Eu1 Zr1 Sb1 O6",
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{
"id": "mp-1207552",
"created_at": "2022-09-04T14:43:34.669672Z",
"structure_string": "Zn4 O8 F8\n1.0\n3.119460 0.000000 0.000000\n1.559730 9.944470 0.000000\n1.559730 0.000000 12.458335\nZn O F\n4 8 8\ndirect\n0.875000 0.250000 0.250000 Zn\n0.875000 0.750000 0.250000 Zn\n0.875000 0.250000 0.750000 Zn\n0.375000 0.750000 0.750000 Zn\n0.780975 0.248818 0.459755 O\n0.759270 0.751182 0.459755 O\n0.970207 0.248818 0.540245 O\n0.969025 0.251182 0.040245 O\n0.489548 0.751182 0.540245 O\n0.990730 0.748818 0.040245 O\n0.779793 0.251182 0.959755 O\n0.260452 0.748818 0.959755 O\n0.476266 0.124588 0.250688 F\n0.273046 0.875412 0.250688 F\n0.399146 0.124588 0.749312 F\n0.273734 0.375412 0.249312 F\n0.851543 0.875412 0.749312 F\n0.476954 0.624588 0.249312 F\n0.350854 0.375412 0.750688 F\n0.898457 0.624588 0.750688 F\n",
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{
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{
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{
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{
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"structure_string": "Mg4 Cr4 O8\n1.0\n1.475101 7.978823 0.000000\n-1.475101 7.978823 0.000000\n0.000000 4.806965 8.338274\nMg Cr O\n4 4 8\ndirect\n0.670461 0.670461 0.290354 Mg\n0.329539 0.329539 0.709646 Mg\n0.981943 0.981943 0.363125 Mg\n0.018057 0.018057 0.636875 Mg\n0.360155 0.360155 0.977924 Cr\n0.819367 0.819367 0.345170 Cr\n0.180633 0.180633 0.654830 Cr\n0.639845 0.639845 0.022076 Cr\n0.177455 0.177455 0.861352 O\n0.579911 0.579911 0.699902 O\n0.420089 0.420089 0.300098 O\n0.822545 0.822545 0.138648 O\n0.872824 0.872824 0.810317 O\n0.213025 0.213025 0.413921 O\n0.127176 0.127176 0.189683 O\n0.786975 0.786975 0.586079 O\n",
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}