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"structure_string": "Sm4 Mn6 Bi12\n1.0\n4.461928 0.000000 0.000000\n0.000000 10.316556 0.000000\n0.000000 3.793664 12.779236\nSm Mn Bi\n4 6 12\ndirect\n0.250000 0.934485 0.320866 Sm\n0.750000 0.747056 0.982413 Sm\n0.750000 0.065515 0.679134 Sm\n0.250000 0.252944 0.017587 Sm\n0.250000 0.536048 0.762361 Mn\n0.250000 0.298015 0.286305 Mn\n0.250000 0.538573 0.339450 Mn\n0.750000 0.701985 0.713695 Mn\n0.750000 0.463952 0.237639 Mn\n0.750000 0.461427 0.660550 Mn\n0.250000 0.523873 0.107212 Bi\n0.750000 0.082261 0.921282 Bi\n0.750000 0.379033 0.462336 Bi\n0.250000 0.620967 0.537664 Bi\n0.250000 0.917739 0.078718 Bi\n0.750000 0.728376 0.255381 Bi\n0.250000 0.117744 0.488928 Bi\n0.750000 0.174321 0.210531 Bi\n0.250000 0.825679 0.789469 Bi\n0.750000 0.882256 0.511072 Bi\n0.750000 0.476127 0.892788 Bi\n0.250000 0.271624 0.744619 Bi\n",
"nsites": 22,
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"elements": [
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],
"chemical_system": "Bi-Mn-Sm",
"density": 9.707289986584762,
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"volume": 588.2503421802099,
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"formula_full": "Sm4 Mn6 Bi12",
"formula_reduced": "Sm2(MnBi2)3",
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"updated_at": "2021-11-28T01:35:05.825000Z",
"spacegroup": 11
},
{
"id": "mp-1175438",
"created_at": "2022-09-04T14:40:34.274061Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n5.888416 0.000000 0.000000\n-1.464005 -6.273004 0.000000\n-1.856709 0.111836 -7.588308\nLi Mn Co O\n9 2 5 16\ndirect\n0.621628 0.124000 0.867496 Li\n0.628786 0.633659 0.375503 Li\n0.868701 0.364829 0.621765 Li\n0.869098 0.875516 0.133301 Li\n0.131299 0.635171 0.378235 Li\n0.130902 0.124484 0.866699 Li\n0.378372 0.876000 0.132504 Li\n0.371214 0.366341 0.624497 Li\n0.500000 0.000000 0.500000 Li\n0.743380 0.248880 0.255004 Mn\n0.256620 0.751120 0.744996 Mn\n0.754479 0.750847 0.745164 Co\n0.000000 0.500000 0.000000 Co\n0.000000 0.000000 0.500000 Co\n0.245521 0.249153 0.254836 Co\n0.500000 0.500000 0.000000 Co\n0.455656 0.203121 0.064793 O\n0.440756 0.691898 0.587514 O\n0.711356 0.455840 0.817550 O\n0.702065 0.956411 0.315678 O\n0.964426 0.701891 0.562904 O\n0.934791 0.208555 0.082682 O\n0.177940 0.965085 0.322332 O\n0.207400 0.450925 0.821029 O\n0.822060 0.034915 0.677668 O\n0.792600 0.549075 0.178971 O\n0.035574 0.298109 0.437096 O\n0.065209 0.791445 0.917318 O\n0.288644 0.544160 0.182450 O\n0.297935 0.043589 0.684322 O\n0.544344 0.796879 0.935207 O\n0.559244 0.308102 0.412486 O\n",
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"nelements": 4,
"elements": [
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"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.283209096209437,
"density_atomic": 0.11416447391369862,
"volume": 280.29735436077993,
"volume_molar": 5.274969133175677,
"formula_full": "Li9 Mn2 Co5 O16",
"formula_reduced": "Li9Mn2Co5O16",
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"total_magnetization": 9.999921,
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"updated_at": "2021-11-28T01:35:06.473000Z",
"spacegroup": 2
},
{
"id": "mp-1076444",
"created_at": "2022-09-04T14:40:33.952208Z",
"structure_string": "Sr16 Ca16 Mn8 Fe24 O80\n1.0\n0.018247 -0.008336 11.060610\n11.326380 -0.000759 0.018752\n-5.673370 15.511794 -5.551312\nSr Ca Mn Fe O\n16 16 8 24 80\ndirect\n0.307394 0.559993 0.610041 Sr\n0.806418 0.060307 0.608754 Sr\n0.809272 0.559657 0.609963 Sr\n0.193227 0.432766 0.385636 Sr\n0.199618 0.441501 0.893433 Sr\n0.693495 0.433310 0.385558 Sr\n0.695709 0.934419 0.386174 Sr\n0.701331 0.937904 0.894867 Sr\n0.059243 0.297847 0.609291 Sr\n0.058271 0.800554 0.609124 Sr\n0.559024 0.300168 0.610663 Sr\n0.556837 0.796099 0.607874 Sr\n0.442942 0.198805 0.385092 Sr\n0.449067 0.201908 0.890937 Sr\n0.944746 0.201589 0.385939 Sr\n0.948365 0.203131 0.892513 Sr\n0.302713 0.066281 0.107647 Ca\n0.304228 0.060101 0.603534 Ca\n0.300607 0.568646 0.106991 Ca\n0.801867 0.068714 0.106996 Ca\n0.802439 0.567604 0.107713 Ca\n0.197932 0.930981 0.391065 Ca\n0.203191 0.938797 0.898880 Ca\n0.702840 0.439271 0.897472 Ca\n0.053077 0.287858 0.107428 Ca\n0.053826 0.789554 0.107109 Ca\n0.550093 0.288515 0.105585 Ca\n0.552828 0.789596 0.104292 Ca\n0.443030 0.709811 0.392008 Ca\n0.450472 0.708353 0.897182 Ca\n0.944799 0.710056 0.390817 Ca\n0.951872 0.708850 0.898605 Ca\n0.118175 0.094423 0.753443 Mn\n0.114348 0.603878 0.753800 Mn\n0.613054 0.598585 0.755358 Mn\n0.366638 0.405237 0.753510 Mn\n0.352463 0.896660 0.246766 Mn\n0.359851 0.898427 0.752098 Mn\n0.862009 0.410303 0.756002 Mn\n0.865246 0.900911 0.752010 Mn\n0.007961 0.001306 0.004608 Fe\n0.004724 0.998865 0.497892 Fe\n0.006580 0.502646 0.005096 Fe\n0.001352 0.499871 0.496817 Fe\n0.506870 0.001584 0.004125 Fe\n0.502071 0.000510 0.498377 Fe\n0.507060 0.502305 0.004150 Fe\n0.500905 0.498064 0.496229 Fe\n0.256903 0.252758 0.005016 Fe\n0.252744 0.247644 0.498228 Fe\n0.255844 0.753212 0.002801 Fe\n0.251750 0.748619 0.496976 Fe\n0.758541 0.255897 0.007463 Fe\n0.752567 0.249703 0.498334 Fe\n0.757704 0.750647 0.003785 Fe\n0.751147 0.746764 0.495283 Fe\n0.103648 0.080065 0.245811 Fe\n0.102939 0.594108 0.246881 Fe\n0.604428 0.084084 0.243532 Fe\n0.606900 0.091370 0.750123 Fe\n0.601145 0.590022 0.245406 Fe\n0.351725 0.413134 0.245589 Fe\n0.852160 0.412931 0.245921 Fe\n0.856115 0.902310 0.244024 Fe\n0.125209 0.116165 0.487951 O\n0.128703 0.121296 0.994303 O\n0.118087 0.622262 0.484671 O\n0.123321 0.625405 0.991860 O\n0.623105 0.121750 0.489847 O\n0.627537 0.125825 0.994525 O\n0.618760 0.621652 0.486494 O\n0.625599 0.621992 0.990798 O\n0.138904 0.383839 0.020619 O\n0.130362 0.376045 0.504975 O\n0.136597 0.881310 0.013932 O\n0.133017 0.877316 0.502326 O\n0.639247 0.384382 0.018031 O\n0.630013 0.376787 0.503727 O\n0.637012 0.879725 0.016869 O\n0.626929 0.873420 0.501027 O\n0.370303 0.115833 0.490732 O\n0.374511 0.117684 0.992974 O\n0.373118 0.620834 0.486888 O\n0.378959 0.624360 0.994482 O\n0.874802 0.118970 0.491438 O\n0.877691 0.122107 0.995389 O\n0.872610 0.619930 0.487191 O\n0.875191 0.618294 0.990505 O\n0.388399 0.387740 0.019379 O\n0.379481 0.378126 0.504151 O\n0.387654 0.885608 0.016004 O\n0.381199 0.882743 0.508563 O\n0.886777 0.387944 0.018560 O\n0.879783 0.378438 0.503724 O\n0.889630 0.884098 0.017715 O\n0.881711 0.876382 0.502323 O\n0.095439 0.103500 0.142266 O\n0.084625 0.080309 0.634889 O\n0.089158 0.609061 0.140578 O\n0.070969 0.586369 0.634654 O\n0.592467 0.107312 0.139934 O\n0.586311 0.094133 0.638705 O\n0.588281 0.610367 0.140802 O\n0.573614 0.582670 0.636660 O\n0.435625 0.403255 0.355403 O\n0.445912 0.411215 0.869337 O\n0.434449 0.909954 0.362384 O\n0.447525 0.907430 0.867801 O\n0.936097 0.403638 0.355614 O\n0.945321 0.410451 0.869091 O\n0.941702 0.898512 0.355795 O\n0.945458 0.906434 0.867991 O\n0.343588 0.285015 0.142698 O\n0.326517 0.294887 0.635708 O\n0.325836 0.787313 0.135331 O\n0.318449 0.795166 0.634507 O\n0.844033 0.286610 0.142112 O\n0.826098 0.307085 0.637796 O\n0.841315 0.779455 0.138304 O\n0.822268 0.799552 0.633593 O\n0.187563 0.199058 0.356033 O\n0.194000 0.209315 0.869201 O\n0.198403 0.709426 0.356755 O\n0.201662 0.712995 0.868678 O\n0.688319 0.197605 0.355915 O\n0.690383 0.215496 0.860493 O\n0.695361 0.700865 0.356175 O\n0.700750 0.707380 0.868538 O\n0.431308 0.047839 0.239594 O\n0.431666 0.058992 0.743207 O\n0.424597 0.572019 0.247644 O\n0.440597 0.576193 0.759857 O\n0.924792 0.056086 0.238810 O\n0.941741 0.057207 0.751114 O\n0.927095 0.570441 0.248296 O\n0.941311 0.574584 0.761348 O\n0.173555 0.434474 0.239641 O\n0.192422 0.443841 0.751954 O\n0.171221 0.922546 0.247753 O\n0.190633 0.930875 0.760924 O\n0.672529 0.431190 0.238089 O\n0.688541 0.438413 0.760111 O\n0.678571 0.927499 0.238687 O\n0.683361 0.937913 0.752622 O\n",
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"elements": [
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"Ca",
"Mn",
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"O"
],
"chemical_system": "Ca-Fe-Mn-O-Sr",
"density": 4.361773022270889,
"density_atomic": 0.07412403081331341,
"volume": 1942.6898189424444,
"volume_molar": 8.124410793534942,
"formula_full": "Sr16 Ca16 Mn8 Fe24 O80",
"formula_reduced": "Sr2Ca2MnFe3O10",
"formula_anonymous": "AB2C2D3E10",
"energy": -1078.94278885,
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"spacegroup": 1
},
{
"id": "mp-1174283",
"created_at": "2022-09-04T14:40:34.975389Z",
"structure_string": "Li8 Mn6 O14\n1.0\n2.999281 0.000000 0.000000\n1.476624 6.303470 0.000000\n0.375990 1.259081 13.666123\nLi Mn O\n8 6 14\ndirect\n0.722288 0.660085 0.425346 Li\n0.579872 0.210884 0.140581 Li\n0.420128 0.789116 0.859419 Li\n0.123331 0.930589 0.294584 Li\n0.000000 0.500000 0.000000 Li\n0.876669 0.069411 0.705416 Li\n0.277712 0.339915 0.574654 Li\n0.000000 0.000000 0.500000 Li\n0.575976 0.724333 0.636989 Mn\n0.424024 0.275667 0.363011 Mn\n0.283148 0.855338 0.071854 Mn\n0.158430 0.426551 0.782158 Mn\n0.841570 0.573449 0.217842 Mn\n0.716852 0.144662 0.928146 Mn\n0.111087 0.681708 0.550297 O\n0.951206 0.265878 0.262998 O\n0.884215 0.834677 0.963888 O\n0.569353 0.986550 0.388436 O\n0.449856 0.546068 0.110044 O\n0.313162 0.119784 0.823867 O\n0.745766 0.407080 0.679029 O\n0.254234 0.592920 0.320971 O\n0.115785 0.165323 0.036112 O\n0.048794 0.734122 0.737002 O\n0.686838 0.880216 0.176133 O\n0.550144 0.453932 0.889956 O\n0.430647 0.013450 0.611564 O\n0.888913 0.318292 0.449703 O\n",
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"elements": [
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],
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"volume": 258.37005150705664,
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"formula_full": "Li8 Mn6 O14",
"formula_reduced": "Li4Mn3O7",
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"updated_at": "2021-11-28T01:35:03.831000Z",
"spacegroup": 2
}
]
}