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{
"id": "mp-1175580",
"created_at": "2022-09-04T14:48:18.842795Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n5.876539 0.000000 0.000000\n-0.039245 5.901596 0.000000\n-0.000930 -0.147772 8.271200\nLi Mn Co O\n9 2 5 16\ndirect\n0.000000 0.500000 0.000000 Li\n0.254939 0.748047 0.254631 Li\n0.256092 0.254949 0.743871 Li\n0.500000 0.500000 0.000000 Li\n0.500000 0.000000 0.500000 Li\n0.745061 0.251953 0.745369 Li\n0.743908 0.745051 0.256129 Li\n0.000000 0.000000 0.500000 Li\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500000 0.500000 Mn\n0.256834 0.259801 0.254824 Co\n0.743166 0.740199 0.745176 Co\n0.500000 0.000000 0.000000 Co\n0.743807 0.252760 0.257391 Co\n0.256193 0.747240 0.742609 Co\n0.761600 0.771553 0.000270 O\n0.008589 0.017193 0.233333 O\n0.999872 0.503581 0.734267 O\n0.235400 0.768156 0.989136 O\n0.231573 0.265962 0.494582 O\n0.509063 0.521644 0.758911 O\n0.497812 0.005700 0.239914 O\n0.764936 0.262156 0.485685 O\n0.238400 0.228447 0.999730 O\n0.490937 0.478356 0.241089 O\n0.502188 0.994300 0.760086 O\n0.764600 0.231844 0.010864 O\n0.768427 0.734038 0.505418 O\n0.991411 0.982807 0.766667 O\n0.000128 0.496419 0.265733 O\n0.235064 0.737844 0.514315 O\n",
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},
{
"id": "mp-1076482",
"created_at": "2022-09-04T14:48:18.854997Z",
"structure_string": "Sr12 Ca20 Mn12 Fe20 O80\n1.0\n0.013830 -0.000755 11.021052\n11.249932 -0.000365 0.014249\n-5.632362 15.507000 -5.518707\nSr Ca Mn Fe O\n12 20 12 20 80\ndirect\n0.308411 0.560561 0.610137 Sr\n0.805932 0.058593 0.608093 Sr\n0.808323 0.560522 0.610184 Sr\n0.195555 0.434025 0.386715 Sr\n0.199406 0.442441 0.893186 Sr\n0.694964 0.936455 0.385984 Sr\n0.058604 0.298303 0.608580 Sr\n0.058522 0.801016 0.610200 Sr\n0.558280 0.299305 0.610517 Sr\n0.449064 0.201123 0.890909 Sr\n0.945011 0.197729 0.385412 Sr\n0.948733 0.201537 0.892197 Sr\n0.304043 0.065296 0.107515 Ca\n0.305673 0.060657 0.603786 Ca\n0.302376 0.566835 0.109208 Ca\n0.804380 0.063380 0.106365 Ca\n0.801890 0.566934 0.106776 Ca\n0.200941 0.932381 0.391818 Ca\n0.201503 0.938603 0.897228 Ca\n0.698004 0.434809 0.393170 Ca\n0.701001 0.439117 0.896435 Ca\n0.700652 0.937472 0.895025 Ca\n0.053720 0.288965 0.107488 Ca\n0.054937 0.790872 0.106233 Ca\n0.552849 0.289480 0.105928 Ca\n0.556831 0.792791 0.106347 Ca\n0.556761 0.795500 0.605562 Ca\n0.446945 0.207125 0.392261 Ca\n0.443737 0.706460 0.391521 Ca\n0.451133 0.708435 0.896237 Ca\n0.944956 0.709166 0.392302 Ca\n0.950358 0.709329 0.896981 Ca\n0.116340 0.094261 0.752723 Mn\n0.113602 0.602740 0.752971 Mn\n0.604317 0.095564 0.246982 Mn\n0.608194 0.094723 0.750185 Mn\n0.613704 0.604645 0.754020 Mn\n0.358900 0.401381 0.247396 Mn\n0.367318 0.404405 0.752676 Mn\n0.354385 0.903979 0.249085 Mn\n0.364775 0.901784 0.751304 Mn\n0.860262 0.409712 0.755094 Mn\n0.859375 0.895103 0.245384 Mn\n0.858249 0.899242 0.751109 Mn\n0.006946 0.000573 0.002510 Fe\n0.004737 0.998987 0.498003 Fe\n0.005794 0.502205 0.004047 Fe\n0.001447 0.498580 0.495635 Fe\n0.505926 0.000156 0.001680 Fe\n0.502092 0.998905 0.498229 Fe\n0.507291 0.502236 0.003581 Fe\n0.502896 0.500458 0.497434 Fe\n0.256204 0.252473 0.003287 Fe\n0.254015 0.247255 0.497016 Fe\n0.256667 0.752870 0.002727 Fe\n0.254008 0.750082 0.498708 Fe\n0.756477 0.252415 0.004196 Fe\n0.751603 0.249222 0.497623 Fe\n0.755740 0.750695 0.000477 Fe\n0.751271 0.746570 0.495268 Fe\n0.108832 0.083318 0.246460 Fe\n0.103456 0.590010 0.247290 Fe\n0.604738 0.587458 0.248018 Fe\n0.851005 0.411653 0.247827 Fe\n0.126812 0.117284 0.489226 O\n0.127490 0.119751 0.992452 O\n0.119293 0.623494 0.486657 O\n0.123668 0.626582 0.993104 O\n0.619566 0.122383 0.488903 O\n0.628463 0.121768 0.994796 O\n0.620718 0.618817 0.484295 O\n0.624771 0.620401 0.988477 O\n0.137134 0.383664 0.018100 O\n0.130946 0.375972 0.504710 O\n0.136359 0.881101 0.013178 O\n0.133258 0.877338 0.502554 O\n0.638603 0.383432 0.018409 O\n0.629397 0.377355 0.502286 O\n0.635404 0.879092 0.012507 O\n0.626395 0.871348 0.503697 O\n0.370632 0.115023 0.486905 O\n0.373962 0.117890 0.992201 O\n0.376590 0.624279 0.489147 O\n0.379725 0.625172 0.995764 O\n0.874703 0.120141 0.493250 O\n0.874352 0.117668 0.993519 O\n0.869639 0.615960 0.483836 O\n0.874250 0.619133 0.990439 O\n0.387744 0.386904 0.017441 O\n0.382688 0.377796 0.505199 O\n0.385421 0.883075 0.011996 O\n0.382767 0.880983 0.509575 O\n0.885623 0.386024 0.017277 O\n0.877153 0.379011 0.501735 O\n0.888126 0.883669 0.014729 O\n0.882469 0.875612 0.504057 O\n0.096326 0.102853 0.140983 O\n0.083077 0.080246 0.635202 O\n0.086706 0.608075 0.141002 O\n0.070159 0.585802 0.634034 O\n0.577456 0.095989 0.135632 O\n0.577844 0.084783 0.634362 O\n0.591806 0.607672 0.142467 O\n0.574756 0.591343 0.635073 O\n0.437646 0.407236 0.361423 O\n0.446256 0.411019 0.868407 O\n0.435798 0.905540 0.362328 O\n0.452679 0.909356 0.866467 O\n0.939897 0.402460 0.356723 O\n0.942821 0.410695 0.868323 O\n0.940511 0.909816 0.362014 O\n0.944102 0.906336 0.866619 O\n0.335169 0.289760 0.136682 O\n0.328272 0.294473 0.635072 O\n0.330600 0.793931 0.137412 O\n0.324172 0.796459 0.634312 O\n0.837619 0.285769 0.142630 O\n0.823084 0.306554 0.636879 O\n0.830288 0.786049 0.133425 O\n0.820221 0.797828 0.632971 O\n0.196642 0.200500 0.357090 O\n0.191642 0.207693 0.867640 O\n0.197053 0.707903 0.356784 O\n0.199998 0.711156 0.867635 O\n0.687601 0.201386 0.361952 O\n0.688658 0.209721 0.866404 O\n0.697354 0.704649 0.356632 O\n0.700498 0.715869 0.867510 O\n0.429021 0.067624 0.249559 O\n0.428002 0.064495 0.743012 O\n0.430041 0.565350 0.248775 O\n0.440803 0.574158 0.758731 O\n0.933633 0.054518 0.239709 O\n0.939108 0.057248 0.750221 O\n0.924831 0.570233 0.248535 O\n0.939908 0.573861 0.760251 O\n0.172659 0.430427 0.240686 O\n0.191419 0.442363 0.751159 O\n0.174510 0.922889 0.247776 O\n0.192813 0.933327 0.760124 O\n0.672087 0.426754 0.247541 O\n0.686467 0.439279 0.759288 O\n0.681965 0.933447 0.241004 O\n0.679836 0.928105 0.751878 O\n",
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],
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"density": 4.240014801698223,
"density_atomic": 0.07489936450977965,
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"formula_full": "Sr12 Ca20 Mn12 Fe20 O80",
"formula_reduced": "Sr3Ca5Mn3(FeO4)5",
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{
"id": "mp-866201",
"created_at": "2022-09-04T14:48:18.857123Z",
"structure_string": "Ti6 Bi2\n1.0\n3.001473 -5.198703 0.000000\n3.001473 5.198703 0.000000\n0.000000 0.000000 4.826148\nTi Bi\n6 2\ndirect\n0.158032 0.316065 0.250000 Ti\n0.683935 0.841968 0.250000 Ti\n0.158032 0.841968 0.250000 Ti\n0.841968 0.683935 0.750000 Ti\n0.316065 0.158032 0.750000 Ti\n0.841968 0.158032 0.750000 Ti\n0.333333 0.666667 0.750000 Bi\n0.666667 0.333333 0.250000 Bi\n",
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"elements": [
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"formula_full": "Ti6 Bi2",
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{
"id": "mp-1211111",
"created_at": "2022-09-04T14:48:18.866499Z",
"structure_string": "Li3 Ti3 Co3 F18\n1.0\n4.400711 -7.622254 0.000000\n4.400711 7.622254 0.000000\n0.000000 0.000000 4.656748\nLi Ti Co F\n3 3 3 18\ndirect\n0.687079 0.000000 0.500000 Li\n0.000000 0.687079 0.500000 Li\n0.312921 0.312921 0.500000 Li\n0.345352 0.000000 0.000000 Ti\n0.000000 0.345352 0.000000 Ti\n0.654648 0.654648 0.000000 Ti\n0.000000 0.000000 0.000000 Co\n0.333333 0.666667 0.491668 Co\n0.666667 0.333333 0.508332 Co\n0.100625 0.552021 0.241180 F\n0.447979 0.548604 0.241180 F\n0.552021 0.100625 0.758820 F\n0.451396 0.899375 0.241180 F\n0.548604 0.447979 0.758820 F\n0.899375 0.451396 0.758820 F\n0.109804 0.240926 0.237438 F\n0.759074 0.868878 0.237438 F\n0.240926 0.109804 0.762562 F\n0.131122 0.890196 0.237438 F\n0.868878 0.759074 0.762562 F\n0.890196 0.131122 0.762562 F\n0.438847 0.203036 0.248353 F\n0.796964 0.235811 0.248353 F\n0.203036 0.438847 0.751647 F\n0.764189 0.561153 0.248353 F\n0.235811 0.796964 0.751647 F\n0.561153 0.764189 0.751647 F\n",
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{
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