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{
"id": "mp-1026034",
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{
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},
{
"id": "mp-1225043",
"created_at": "2022-09-04T14:47:16.504737Z",
"structure_string": "Dy1 Y1 Fe4\n1.0\n0.000000 3.648755 3.648755\n3.648755 0.000000 3.648755\n3.648755 3.648755 0.000000\nDy Y Fe\n1 1 4\ndirect\n0.250000 0.250000 0.250000 Dy\n0.000000 0.000000 0.000000 Y\n0.624848 0.624848 0.125455 Fe\n0.624848 0.125455 0.624848 Fe\n0.125455 0.624848 0.624848 Fe\n0.624848 0.624848 0.624848 Fe\n",
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"spacegroup": 216
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{
"id": "mp-1217746",
"created_at": "2022-09-04T14:47:16.640868Z",
"structure_string": "Tb17 Mg11 Ni8\n1.0\n3.643967 0.000000 0.000000\n0.000000 10.949729 0.000000\n0.000000 0.000000 21.904590\nTb Mg Ni\n17 11 8\ndirect\n0.500000 0.324172 0.162130 Tb\n0.500000 0.324781 0.662059 Tb\n0.500000 0.675219 0.337941 Tb\n0.500000 0.675828 0.837870 Tb\n0.500000 0.675828 0.162130 Tb\n0.500000 0.675219 0.662059 Tb\n0.500000 0.324781 0.337941 Tb\n0.500000 0.324172 0.837870 Tb\n0.500000 0.000000 0.135624 Tb\n0.500000 0.000000 0.633348 Tb\n0.500000 0.000000 0.366652 Tb\n0.500000 0.000000 0.864376 Tb\n0.500000 0.728759 0.000000 Tb\n0.500000 0.733345 0.500000 Tb\n0.500000 0.271241 0.000000 Tb\n0.500000 0.266655 0.500000 Tb\n0.000000 0.000000 0.000000 Tb\n0.000000 0.500000 0.070838 Mg\n0.000000 0.500000 0.570832 Mg\n0.000000 0.500000 0.429168 Mg\n0.000000 0.500000 0.929162 Mg\n0.000000 0.858353 0.250177 Mg\n0.000000 0.858353 0.749823 Mg\n0.000000 0.141647 0.250177 Mg\n0.000000 0.141647 0.749823 Mg\n0.000000 0.500000 0.250078 Mg\n0.000000 0.500000 0.749922 Mg\n0.000000 0.000000 0.500000 Mg\n0.000000 0.190307 0.095259 Ni\n0.000000 0.190141 0.595161 Ni\n0.000000 0.809859 0.404839 Ni\n0.000000 0.809693 0.904741 Ni\n0.000000 0.809693 0.095259 Ni\n0.000000 0.809859 0.595161 Ni\n0.000000 0.190141 0.404839 Ni\n0.000000 0.190307 0.904741 Ni\n",
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"density": 6.533140654554149,
"density_atomic": 0.041189788885947196,
"volume": 874.003022925961,
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"formula_full": "Tb17 Mg11 Ni8",
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"energy": -151.70582840999998,
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"updated_at": "2021-11-28T01:37:59.337000Z",
"spacegroup": 47
},
{
"id": "mp-849613",
"created_at": "2022-09-04T14:47:16.535910Z",
"structure_string": "Li10 Mn12 B12 O36\n1.0\n8.799453 0.000000 0.000000\n-2.685819 8.438459 0.000000\n-1.558538 -2.202712 10.129629\nLi Mn B O\n10 12 12 36\ndirect\n0.096672 0.793015 0.814699 Li\n0.814048 0.102274 0.800928 Li\n0.223618 0.234572 0.517527 Li\n0.847142 0.544013 0.553594 Li\n0.563710 0.850133 0.548552 Li\n0.593150 0.291768 0.307440 Li\n0.969374 0.983852 0.266630 Li\n0.333068 0.036192 0.057143 Li\n0.062234 0.336527 0.038804 Li\n0.723461 0.748774 0.026200 Li\n0.200424 0.185714 0.809604 Mn\n0.813045 0.489543 0.839706 Mn\n0.480998 0.838177 0.837264 Mn\n0.581499 0.231157 0.595201 Mn\n0.237884 0.590324 0.582045 Mn\n0.935649 0.929007 0.567960 Mn\n0.336891 0.965704 0.345306 Mn\n0.992557 0.348461 0.333000 Mn\n0.683180 0.683557 0.317110 Mn\n0.081727 0.707252 0.103809 Mn\n0.724396 0.102909 0.089196 Mn\n0.428766 0.430046 0.073122 Mn\n0.000062 0.995788 0.999514 B\n0.536412 0.205412 0.871613 B\n0.194841 0.538183 0.876858 B\n0.760061 0.763516 0.751324 B\n0.964099 0.298520 0.633126 B\n0.294023 0.959475 0.629776 B\n0.509229 0.500571 0.498149 B\n0.039506 0.703061 0.373066 B\n0.712840 0.048465 0.375369 B\n0.247851 0.234460 0.247311 B\n0.793149 0.462399 0.126850 B\n0.448555 0.790590 0.116048 B\n0.016667 0.114055 0.923404 O\n0.399981 0.189945 0.933322 O\n0.073547 0.541959 0.949865 O\n0.098837 0.898529 0.997763 O\n0.261921 0.416352 0.890876 O\n0.627065 0.104113 0.888153 O\n0.572721 0.320095 0.796614 O\n0.240875 0.649513 0.800975 O\n0.658494 0.730684 0.838880 O\n0.059952 0.195269 0.644810 O\n0.841479 0.285930 0.702860 O\n0.178291 0.964569 0.709885 O\n0.864078 0.672797 0.732693 O\n0.320049 0.064131 0.544255 O\n0.377400 0.851016 0.638870 O\n0.763177 0.888377 0.683893 O\n0.378977 0.447494 0.557456 O\n0.996203 0.404498 0.549882 O\n0.588133 0.029502 0.445594 O\n0.615571 0.409823 0.486862 O\n0.538954 0.640925 0.450057 O\n0.127235 0.601432 0.385147 O\n0.133557 0.197232 0.327425 O\n0.920318 0.707083 0.444866 O\n0.743929 0.165397 0.299614 O\n0.068993 0.810065 0.283604 O\n0.361131 0.152592 0.242878 O\n0.806469 0.947511 0.380828 O\n0.245805 0.346150 0.170368 O\n0.661506 0.446346 0.187364 O\n0.315169 0.774772 0.176511 O\n0.541581 0.690814 0.128667 O\n0.881733 0.358013 0.129856 O\n0.839370 0.592119 0.060393 O\n0.488601 0.911103 0.045540 O\n0.884877 0.973202 0.079333 O\n",
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"formula_full": "Li10 Mn12 B12 O36",
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{
"id": "mp-1184413",
"created_at": "2022-09-04T14:47:16.560540Z",
"structure_string": "Fe6 Au2\n1.0\n2.697993 -4.673062 0.000000\n2.697993 4.673062 0.000000\n0.000000 0.000000 4.298006\nFe Au\n6 2\ndirect\n0.155248 0.310497 0.250000 Fe\n0.689503 0.844752 0.250000 Fe\n0.155248 0.844752 0.250000 Fe\n0.844752 0.689503 0.750000 Fe\n0.310497 0.155248 0.750000 Fe\n0.844752 0.155248 0.750000 Fe\n0.333333 0.666667 0.750000 Au\n0.666667 0.333333 0.250000 Au\n",
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"formula_full": "Fe6 Au2",
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{
"id": "mp-1208460",
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"structure_string": "Tb4 Sb4 O16\n1.0\n5.412402 -0.270554 0.064182\n0.096876 7.591317 1.244502\n-0.122811 -0.015396 7.593097\nTb Sb O\n4 4 16\ndirect\n0.264313 0.134186 0.611335 Tb\n0.735687 0.865814 0.388665 Tb\n0.213086 0.159884 0.108009 Tb\n0.786914 0.840116 0.891991 Tb\n0.241243 0.664163 0.196690 Sb\n0.758757 0.335837 0.803310 Sb\n0.724629 0.336447 0.306973 Sb\n0.275371 0.663553 0.693027 Sb\n0.086564 0.435518 0.693300 O\n0.913436 0.564482 0.306700 O\n0.611354 0.327987 0.558610 O\n0.388646 0.672013 0.441390 O\n0.866062 0.328751 0.059677 O\n0.133938 0.671249 0.940323 O\n0.400579 0.431747 0.197652 O\n0.599421 0.568253 0.802348 O\n0.045176 0.885702 0.177229 O\n0.954824 0.114298 0.822771 O\n0.510004 0.112764 0.323992 O\n0.489996 0.887236 0.676008 O\n0.463786 0.188512 0.874623 O\n0.536214 0.811488 0.125377 O\n0.991669 0.171141 0.380131 O\n0.008331 0.828859 0.619869 O\n",
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{
"id": "mp-1021358",
"created_at": "2022-09-04T14:47:16.594961Z",
"structure_string": "Li2 Mg12 Ti2\n1.0\n4.991876 0.000000 0.000000\n0.000000 6.392494 0.000000\n0.000000 0.000000 10.843698\nLi Mg Ti\n2 12 2\ndirect\n0.500000 0.500000 0.834513 Li\n0.500000 0.000000 0.334513 Li\n0.500000 0.252296 0.082725 Mg\n0.500000 0.747704 0.082725 Mg\n0.000000 0.246362 0.913250 Mg\n0.000000 0.753638 0.913250 Mg\n0.000000 0.500000 0.170984 Mg\n0.000000 0.500000 0.668473 Mg\n0.500000 0.752296 0.582725 Mg\n0.500000 0.247704 0.582725 Mg\n0.000000 0.746362 0.413250 Mg\n0.000000 0.253638 0.413250 Mg\n0.000000 0.000000 0.670984 Mg\n0.000000 0.000000 0.168473 Mg\n0.500000 0.500000 0.334083 Ti\n0.500000 0.000000 0.834083 Ti\n",
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{
"id": "mp-1175272",
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"structure_string": "Li7 Mn4 Co1 O12\n1.0\n8.593636 0.000000 0.000000\n0.000000 5.219627 0.000000\n0.000000 2.016497 4.859364\nLi Mn Co O\n7 4 1 12\ndirect\n0.164613 0.500000 0.000000 Li\n0.331218 0.500000 0.500000 Li\n0.499023 0.500000 0.000000 Li\n0.663640 0.500000 0.500000 Li\n0.836011 0.500000 0.000000 Li\n0.005255 0.500000 0.500000 Li\n0.168448 0.000000 0.500000 Li\n0.001609 0.000000 0.000000 Mn\n0.333242 0.000000 0.000000 Mn\n0.665537 0.000000 0.000000 Mn\n0.835238 0.000000 0.500000 Mn\n0.497605 0.000000 0.500000 Co\n0.167198 0.235568 0.780284 O\n0.342372 0.208624 0.243808 O\n0.497330 0.235608 0.774797 O\n0.663819 0.228878 0.277250 O\n0.835608 0.236589 0.775888 O\n0.992954 0.212395 0.238678 O\n0.167198 0.764432 0.219716 O\n0.342372 0.791376 0.756192 O\n0.497330 0.764392 0.225203 O\n0.663819 0.771122 0.722750 O\n0.835608 0.763411 0.224112 O\n0.992954 0.787605 0.761322 O\n",
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{
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"structure_string": "K3 Au1 F6\n1.0\n0.000000 4.637567 4.637567\n4.637567 0.000000 4.637567\n4.637567 4.637567 0.000000\nK Au F\n3 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Au\n0.769012 0.230988 0.230988 F\n0.230988 0.230988 0.769012 F\n0.230988 0.769012 0.769012 F\n0.230988 0.769012 0.230988 F\n0.769012 0.230988 0.769012 F\n0.769012 0.769012 0.230988 F\n",
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},
{
"id": "mp-1035284",
"created_at": "2022-09-04T14:47:16.602124Z",
"structure_string": "Mg14 Cr1 Cu1 O16\n1.0\n8.495436 0.000000 0.000000\n0.000000 8.595365 0.000000\n0.000000 0.000000 4.254204\nMg Cr Cu O\n14 1 1 16\ndirect\n0.500000 0.000000 0.000000 Mg\n0.500000 0.500000 0.000000 Mg\n0.000000 0.244985 0.500000 Mg\n0.000000 0.755015 0.500000 Mg\n0.500000 0.248951 0.500000 Mg\n0.500000 0.751049 0.500000 Mg\n0.247726 0.000000 0.500000 Mg\n0.250701 0.500000 0.500000 Mg\n0.752274 0.000000 0.500000 Mg\n0.749299 0.500000 0.500000 Mg\n0.248652 0.246080 0.000000 Mg\n0.248652 0.753920 0.000000 Mg\n0.751348 0.246080 0.000000 Mg\n0.751348 0.753920 0.000000 Mg\n0.000000 0.500000 0.000000 Cr\n0.000000 0.000000 0.000000 Cu\n0.257861 0.000000 0.000000 O\n0.247015 0.500000 0.000000 O\n0.742139 0.000000 0.000000 O\n0.752985 0.500000 0.000000 O\n0.248942 0.250514 0.500000 O\n0.248942 0.749486 0.500000 O\n0.751058 0.250514 0.500000 O\n0.751058 0.749486 0.500000 O\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.265304 0.000000 O\n0.000000 0.734696 0.000000 O\n0.500000 0.253252 0.000000 O\n0.500000 0.746748 0.000000 O\n",
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],
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"density": 3.8048741686519203,
"density_atomic": 0.1030105416067103,
"volume": 310.6478181832553,
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"formula_full": "Mg14 Cr1 Cu1 O16",
"formula_reduced": "Mg14CrCuO16",
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"updated_at": "2021-11-28T01:38:02.899000Z",
"spacegroup": 47
},
{
"id": "mp-1233235",
"created_at": "2022-09-04T14:47:16.639262Z",
"structure_string": "Mg1 Mn4 Ag4 O16\n1.0\n6.184501 -0.055273 -0.052145\n-0.348292 8.040429 0.000291\n-0.061509 -0.002683 6.973390\nMg Mn Ag O\n1 4 4 16\ndirect\n0.505995 0.999498 0.892567 Mg\n0.743881 0.355024 0.004358 Mn\n0.251322 0.864517 0.499122 Mn\n0.257731 0.645724 0.003334 Mn\n0.749529 0.135406 0.499596 Mn\n0.775882 0.728745 0.738180 Ag\n0.225150 0.269043 0.744298 Ag\n0.249662 0.256052 0.258689 Ag\n0.753364 0.745425 0.256034 Ag\n0.532207 0.246916 0.500737 O\n0.742184 0.465870 0.804062 O\n0.979836 0.254221 0.500392 O\n0.021066 0.745621 0.496423 O\n0.506718 0.227780 0.997091 O\n0.494652 0.772810 0.001845 O\n0.468620 0.753203 0.502708 O\n0.253004 0.985897 0.305640 O\n0.034776 0.751380 0.002004 O\n0.745419 0.009740 0.700895 O\n0.743958 0.014979 0.304507 O\n0.259024 0.989274 0.701060 O\n0.263029 0.525051 0.194901 O\n0.257926 0.533390 0.804004 O\n0.966430 0.248505 0.008589 O\n0.739469 0.475930 0.195632 O\n",
"nsites": 25,
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"elements": [
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],
"chemical_system": "Ag-Mg-Mn-O",
"density": 4.46286913115201,
"density_atomic": 0.07212946352967631,
"volume": 346.59900097155474,
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"formula_full": "Mg1 Mn4 Ag4 O16",
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"updated_at": "2021-11-28T01:38:02.262000Z",
"spacegroup": 3
}
]
}