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{
"id": "mp-1235542",
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"structure_string": "Li1 Fe6 O4 F8\n1.0\n-5.152725 5.023576 3.082510\n-0.167787 4.873511 -3.107285\n-4.975617 0.176182 -3.089438\nLi Fe O F\n1 6 4 8\ndirect\n0.177985 0.323040 0.825241 Li\n0.841456 0.629163 0.668721 Fe\n0.668439 0.347248 0.314807 Fe\n0.345695 0.713446 0.636139 Fe\n0.153423 0.325728 0.352208 Fe\n0.513215 0.974382 0.015700 Fe\n0.989342 0.959631 0.015278 Fe\n0.332195 0.994494 0.336483 O\n0.668607 0.641244 0.011763 O\n0.999296 0.274131 0.705058 O\n0.003321 0.675207 0.320373 O\n0.677917 0.036010 0.629802 F\n0.341076 0.388458 0.955633 F\n0.313174 0.949912 0.878542 F\n0.985114 0.244262 0.200374 F\n0.641185 0.568465 0.565498 F\n0.044486 0.711416 0.775699 F\n0.356809 0.416819 0.467084 F\n0.688934 0.097773 0.096434 F\n",
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{
"id": "mp-1173886",
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"formula_full": "Li2 Mn1 Co1 O4",
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{
"id": "mp-11515",
"created_at": "2022-09-04T14:45:42.189629Z",
"structure_string": "Nb2 Rh2\n1.0\n2.840017 0.000000 0.000000\n0.000000 4.600960 0.000000\n0.000000 0.000000 4.939123\nNb Rh\n2 2\ndirect\n0.000000 0.750000 0.195064 Nb\n0.000000 0.250000 0.804936 Nb\n0.500000 0.750000 0.686810 Rh\n0.500000 0.250000 0.313190 Rh\n",
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"formula_full": "Nb2 Rh2",
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"spacegroup": 51
},
{
"id": "mp-1101850",
"created_at": "2022-09-04T14:45:42.205966Z",
"structure_string": "Ho3 Cu4 Sn4\n1.0\n-2.232484 3.468423 7.334688\n2.232484 -3.468423 7.334688\n2.232484 3.468423 -7.334688\nHo Cu Sn\n3 4 4\ndirect\n0.000000 0.000000 0.000000 Ho\n0.369053 0.869053 0.500000 Ho\n0.630947 0.130947 0.500000 Ho\n0.639801 0.328521 0.311280 Cu\n0.017241 0.328521 0.688720 Cu\n0.360199 0.671479 0.688720 Cu\n0.982759 0.671479 0.311280 Cu\n0.215849 0.215849 0.000000 Sn\n0.784151 0.784151 0.000000 Sn\n0.703078 0.500000 0.203078 Sn\n0.296922 0.500000 0.796922 Sn\n",
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"formula_full": "Ho3 Cu4 Sn4",
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"energy": -51.66286819,
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{
"id": "mp-1173186",
"created_at": "2022-09-04T14:45:41.732757Z",
"structure_string": "Sr6 La6 Ta6 Co6 O36\n1.0\n2.841570 -4.921744 0.000000\n2.841570 4.921744 0.000000\n0.000000 0.000000 27.914013\nSr La Ta Co O\n6 6 6 6 36\ndirect\n0.666667 0.333333 0.030860 Sr\n0.333333 0.666667 0.211910 Sr\n0.000000 0.000000 0.375260 Sr\n0.000000 0.000000 0.124208 Sr\n0.666667 0.333333 0.542148 Sr\n0.333333 0.666667 0.707240 Sr\n0.666667 0.333333 0.292616 La\n0.333333 0.666667 0.458578 La\n0.000000 0.000000 0.888909 La\n0.000000 0.000000 0.624364 La\n0.666667 0.333333 0.791695 La\n0.333333 0.666667 0.957915 La\n0.666667 0.333333 0.169414 Ta\n0.333333 0.666667 0.081413 Ta\n0.333333 0.666667 0.333431 Ta\n0.666667 0.333333 0.666349 Ta\n0.000000 0.000000 0.500296 Ta\n0.333333 0.666667 0.831872 Ta\n0.000000 0.000000 0.999553 Co\n0.000000 0.000000 0.250020 Co\n0.666667 0.333333 0.417093 Co\n0.333333 0.666667 0.583274 Co\n0.000000 0.000000 0.750187 Co\n0.666667 0.333333 0.917744 Co\n0.171039 0.828961 0.042001 O\n0.002315 0.501158 0.125816 O\n0.171039 0.342077 0.042001 O\n0.498842 0.997685 0.125816 O\n0.657923 0.828961 0.042001 O\n0.498842 0.501158 0.125816 O\n0.828250 0.171750 0.208893 O\n0.660322 0.830161 0.292067 O\n0.828250 0.656500 0.208893 O\n0.169839 0.339678 0.292067 O\n0.343500 0.171750 0.208893 O\n0.169839 0.830161 0.292067 O\n0.497727 0.502273 0.374345 O\n0.327697 0.163849 0.459010 O\n0.497727 0.995454 0.374345 O\n0.836151 0.672303 0.459010 O\n0.004546 0.502273 0.374345 O\n0.164150 0.835850 0.541214 O\n0.836151 0.163849 0.459010 O\n0.994787 0.497393 0.625370 O\n0.164150 0.328300 0.541214 O\n0.502607 0.005213 0.625370 O\n0.671700 0.835850 0.541214 O\n0.502607 0.497393 0.625370 O\n0.661623 0.830812 0.792157 O\n0.830662 0.169338 0.707733 O\n0.830662 0.661324 0.707733 O\n0.169188 0.338377 0.792157 O\n0.338676 0.169338 0.707733 O\n0.169188 0.830812 0.792157 O\n0.497783 0.502217 0.873877 O\n0.325856 0.162928 0.955400 O\n0.497783 0.995566 0.873877 O\n0.837072 0.674144 0.955400 O\n0.004434 0.502217 0.873877 O\n0.837072 0.162928 0.955400 O\n",
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],
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"density_atomic": 0.0768460587943224,
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"formula_full": "Sr6 La6 Ta6 Co6 O36",
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"formula_anonymous": "ABCDE6",
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"spacegroup": 156
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{
"id": "mp-1200102",
"created_at": "2022-09-04T14:45:41.996429Z",
"structure_string": "Ca12 Ag12 Ge12\n1.0\n4.618498 0.000000 0.000000\n0.000000 7.933401 0.000000\n0.000000 0.000000 21.768079\nCa Ag Ge\n12 12 12\ndirect\n0.250000 0.219544 0.000588 Ca\n0.250000 0.280456 0.500588 Ca\n0.750000 0.780456 0.999412 Ca\n0.750000 0.719544 0.499412 Ca\n0.250000 0.207059 0.333633 Ca\n0.250000 0.292941 0.833633 Ca\n0.750000 0.792941 0.666367 Ca\n0.750000 0.707059 0.166367 Ca\n0.250000 0.207997 0.667357 Ca\n0.250000 0.292003 0.167357 Ca\n0.750000 0.792003 0.332643 Ca\n0.750000 0.707997 0.832643 Ca\n0.250000 0.912633 0.763531 Ag\n0.250000 0.587367 0.263531 Ag\n0.750000 0.087367 0.236469 Ag\n0.750000 0.412633 0.736469 Ag\n0.250000 0.920009 0.904201 Ag\n0.250000 0.579991 0.404201 Ag\n0.750000 0.079991 0.095799 Ag\n0.750000 0.420009 0.595799 Ag\n0.250000 0.918304 0.564315 Ag\n0.250000 0.581696 0.064315 Ag\n0.750000 0.081696 0.435685 Ag\n0.750000 0.418304 0.935685 Ag\n0.250000 0.582361 0.727704 Ge\n0.250000 0.917639 0.227704 Ge\n0.750000 0.417639 0.272296 Ge\n0.750000 0.082361 0.772296 Ge\n0.250000 0.911086 0.102998 Ge\n0.250000 0.588914 0.602998 Ge\n0.750000 0.088914 0.897002 Ge\n0.750000 0.411086 0.397002 Ge\n0.250000 0.592024 0.927142 Ge\n0.250000 0.907976 0.427142 Ge\n0.750000 0.407976 0.072858 Ge\n0.750000 0.092024 0.572858 Ge\n",
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{
"id": "mp-560329",
"created_at": "2022-09-04T14:45:42.191467Z",
"structure_string": "Ce4 Zr4 O14\n1.0\n0.000000 5.398349 5.398349\n5.398349 0.000000 5.398349\n5.398349 5.398349 0.000000\nCe Zr O\n4 4 14\ndirect\n0.625000 0.125000 0.125000 Ce\n0.125000 0.625000 0.125000 Ce\n0.125000 0.125000 0.625000 Ce\n0.125000 0.125000 0.125000 Ce\n0.625000 0.625000 0.125000 Zr\n0.625000 0.125000 0.625000 Zr\n0.625000 0.625000 0.625000 Zr\n0.125000 0.625000 0.625000 Zr\n0.960827 0.539173 0.539173 O\n0.289173 0.710827 0.710827 O\n0.250000 0.250000 0.250000 O\n0.539173 0.960827 0.960827 O\n0.289173 0.289173 0.710827 O\n0.289173 0.710827 0.289173 O\n0.960827 0.539173 0.960827 O\n0.710827 0.289173 0.289173 O\n0.960827 0.960827 0.539173 O\n0.000000 0.000000 0.000000 O\n0.710827 0.289173 0.710827 O\n0.539173 0.960827 0.539173 O\n0.539173 0.539173 0.960827 O\n0.710827 0.710827 0.289173 O\n",
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"formula_full": "Ce4 Zr4 O14",
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{
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"structure_string": "Nb4 Br10\n1.0\n5.290974 -7.687882 0.000000\n5.290974 7.687882 0.000000\n0.000000 0.000000 6.059831\nNb Br\n4 10\ndirect\n0.864621 0.864621 0.000000 Nb\n0.864621 0.864621 0.500000 Nb\n0.135379 0.135379 0.500000 Nb\n0.135379 0.135379 0.000000 Nb\n0.039968 0.318041 0.750000 Br\n0.387477 0.251030 0.750000 Br\n0.887604 0.112396 0.250000 Br\n0.112396 0.887604 0.750000 Br\n0.251030 0.387477 0.250000 Br\n0.748970 0.612523 0.750000 Br\n0.318041 0.039968 0.250000 Br\n0.612523 0.748970 0.250000 Br\n0.681959 0.960032 0.750000 Br\n0.960032 0.681959 0.250000 Br\n",
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"volume": 492.98402276034756,
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"formula_full": "Nb4 Br10",
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{
"id": "mp-1035054",
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"structure_string": "Rb1 La1 Mg14 O16\n1.0\n8.831520 -0.000000 0.000000\n-0.000000 8.831520 0.000000\n-0.000000 -0.000000 4.572280\nRb La Mg O\n1 1 14 16\ndirect\n0.500000 0.500000 0.000000 Rb\n-0.000000 0.000000 0.000000 La\n-0.000000 0.500000 0.000000 Mg\n0.500000 0.000000 0.000000 Mg\n-0.000000 0.268583 0.500000 Mg\n-0.000000 0.731417 0.500000 Mg\n0.500000 0.249056 0.500000 Mg\n0.500000 0.750944 0.500000 Mg\n0.268583 0.000000 0.500000 Mg\n0.249056 0.500000 0.500000 Mg\n0.731417 0.000000 0.500000 Mg\n0.750944 0.500000 0.500000 Mg\n0.258906 0.258906 -0.000000 Mg\n0.258906 0.741094 0.000000 Mg\n0.741094 0.258906 -0.000000 Mg\n0.741094 0.741094 0.000000 Mg\n0.264273 0.000000 -0.000000 O\n0.221362 0.500000 0.000000 O\n0.735727 0.000000 0.000000 O\n0.778638 0.500000 -0.000000 O\n0.248389 0.248389 0.500000 O\n0.248389 0.751611 0.500000 O\n0.751611 0.248389 0.500000 O\n0.751611 0.751611 0.500000 O\n-0.000000 0.000000 0.500000 O\n-0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n-0.000000 0.264273 -0.000000 O\n-0.000000 0.735727 0.000000 O\n0.500000 0.221362 0.000000 O\n0.500000 0.778638 -0.000000 O\n",
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"formula_full": "Rb1 La1 Mg14 O16",
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{
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"formula_full": "Li2 Mn2 P8 O24",
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},
{
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},
{
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"created_at": "2022-09-04T14:45:41.915436Z",
"structure_string": "Cr21 Fe2 C6\n1.0\n0.000000 5.277232 5.277232\n5.277232 0.000000 5.277232\n5.277232 5.277232 0.000000\nCr Fe C\n21 2 6\ndirect\n0.339190 0.000000 0.000000 Cr\n0.660810 0.000000 0.000000 Cr\n0.000000 0.339190 0.660810 Cr\n0.000000 0.660810 0.339190 Cr\n0.000000 0.339190 0.000000 Cr\n0.660810 0.000000 0.339190 Cr\n0.000000 0.660810 0.000000 Cr\n0.339190 0.000000 0.660810 Cr\n0.000000 0.000000 0.339190 Cr\n0.000000 0.000000 0.660810 Cr\n0.660810 0.339190 0.000000 Cr\n0.339190 0.660810 0.000000 Cr\n0.381977 0.381977 0.381977 Cr\n0.618023 0.618023 0.618023 Cr\n0.381977 0.381977 0.854068 Cr\n0.381977 0.854068 0.381977 Cr\n0.618023 0.618023 0.145932 Cr\n0.618023 0.145932 0.618023 Cr\n0.854068 0.381977 0.381977 Cr\n0.145932 0.618023 0.618023 Cr\n0.000000 0.000000 0.000000 Cr\n0.250000 0.250000 0.250000 Fe\n0.750000 0.750000 0.750000 Fe\n0.722990 0.277010 0.277010 C\n0.277010 0.722990 0.722990 C\n0.277010 0.722990 0.277010 C\n0.722990 0.277010 0.722990 C\n0.277010 0.277010 0.722990 C\n0.722990 0.722990 0.277010 C\n",
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}
]
}