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{
"id": "mp-758738",
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{
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"formula_full": "Li4 Mn2 V2 P6 O24",
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{
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"structure_string": "K1 Ti12 Se16\n1.0\n7.168444 0.000000 0.000000\n-0.005954 9.964272 0.000000\n-3.576423 -4.974314 8.611267\nK Ti Se\n1 12 16\ndirect\n0.000000 0.000000 0.000000 K\n0.558546 0.359720 0.868290 Ti\n0.060351 0.360242 0.868741 Ti\n0.371081 0.131188 0.491228 Ti\n0.868882 0.132144 0.490906 Ti\n0.444497 0.509148 0.641224 Ti\n0.945787 0.508734 0.640031 Ti\n0.939649 0.639758 0.131259 Ti\n0.441454 0.640280 0.131710 Ti\n0.131118 0.867856 0.509094 Ti\n0.628919 0.868812 0.508772 Ti\n0.054213 0.491266 0.359969 Ti\n0.555503 0.490852 0.358776 Ti\n0.974604 0.050541 0.697455 Se\n0.474070 0.050233 0.698549 Se\n0.800849 0.301451 0.351546 Se\n0.302781 0.302543 0.353035 Se\n0.100827 0.647364 0.949562 Se\n0.599829 0.648286 0.949728 Se\n0.525930 0.949767 0.301451 Se\n0.025396 0.949459 0.302545 Se\n0.697219 0.697457 0.646965 Se\n0.199151 0.698549 0.648454 Se\n0.400171 0.351714 0.050272 Se\n0.899173 0.352636 0.050438 Se\n0.792013 0.667061 0.333634 Se\n0.291753 0.666448 0.333117 Se\n0.708247 0.333552 0.666883 Se\n0.207987 0.332939 0.666366 Se\n",
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"formula_full": "K1 Ti12 Se16",
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{
"id": "mp-1038488",
"created_at": "2022-09-04T14:46:24.058751Z",
"structure_string": "Mg30 Cd1 Bi1 O32\n1.0\n8.676271 0.000000 0.000000\n0.000000 8.676271 0.000000\n0.000000 0.000000 8.672121\nMg Cd Bi O\n30 1 1 32\ndirect\n0.500000 0.000000 0.000000 Mg\n0.000000 0.500000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.244628 0.244628 0.000000 Mg\n0.755372 0.244628 0.000000 Mg\n0.244628 0.755372 0.000000 Mg\n0.755372 0.755372 0.000000 Mg\n0.249249 0.249249 0.500000 Mg\n0.750751 0.249249 0.500000 Mg\n0.249249 0.750751 0.500000 Mg\n0.750751 0.750751 0.500000 Mg\n0.251051 0.000000 0.252163 Mg\n0.748949 0.000000 0.252163 Mg\n0.242997 0.500000 0.256641 Mg\n0.757003 0.500000 0.256641 Mg\n0.251051 0.000000 0.747837 Mg\n0.748949 0.000000 0.747837 Mg\n0.242997 0.500000 0.743359 Mg\n0.757003 0.500000 0.743359 Mg\n0.000000 0.251051 0.252163 Mg\n0.500000 0.242997 0.256641 Mg\n0.000000 0.748949 0.252163 Mg\n0.500000 0.757003 0.256641 Mg\n0.000000 0.251051 0.747837 Mg\n0.500000 0.242997 0.743359 Mg\n0.000000 0.748949 0.747837 Mg\n0.500000 0.757003 0.743359 Mg\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 0.000000 Bi\n0.000000 0.000000 0.265724 O\n0.500000 0.000000 0.253825 O\n0.000000 0.500000 0.253825 O\n0.500000 0.500000 0.267865 O\n0.000000 0.000000 0.734276 O\n0.500000 0.000000 0.746175 O\n0.000000 0.500000 0.746175 O\n0.500000 0.500000 0.732135 O\n0.251227 0.251227 0.248586 O\n0.748773 0.251227 0.248586 O\n0.251227 0.748773 0.248586 O\n0.748773 0.748773 0.248586 O\n0.251227 0.251227 0.751414 O\n0.748773 0.251227 0.751414 O\n0.251227 0.748773 0.751414 O\n0.748773 0.748773 0.751414 O\n0.264290 0.000000 0.000000 O\n0.735710 0.000000 0.000000 O\n0.234052 0.500000 0.000000 O\n0.765948 0.500000 0.000000 O\n0.252210 0.000000 0.500000 O\n0.747790 0.000000 0.500000 O\n0.248574 0.500000 0.500000 O\n0.751426 0.500000 0.500000 O\n0.000000 0.264290 0.000000 O\n0.500000 0.234052 0.000000 O\n0.000000 0.735710 0.000000 O\n0.500000 0.765948 0.000000 O\n0.000000 0.252210 0.500000 O\n0.500000 0.248574 0.500000 O\n0.000000 0.747790 0.500000 O\n0.500000 0.751426 0.500000 O\n",
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{
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"structure_string": "Li4 Ti1 Co3 O8\n1.0\n5.100245 0.000000 0.000000\n0.036156 5.562419 0.000000\n0.048821 0.023964 6.460651\nLi Ti Co O\n4 1 3 8\ndirect\n0.003581 0.916008 0.621223 Li\n0.504830 0.578448 0.125380 Li\n0.002254 0.421060 0.875821 Li\n0.506871 0.087097 0.374585 Li\n0.501406 0.080540 0.876627 Ti\n0.011239 0.911188 0.139224 Co\n0.503262 0.581483 0.621931 Co\n0.989952 0.426281 0.382573 Co\n0.631420 0.925862 0.108422 O\n0.607636 0.924126 0.641099 O\n0.107193 0.593519 0.131646 O\n0.118623 0.574086 0.611514 O\n0.632308 0.420620 0.372274 O\n0.607000 0.393665 0.870521 O\n0.108797 0.094404 0.359524 O\n0.137230 0.071611 0.887639 O\n",
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{
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{
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{
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"structure_string": "Ba2 Sn12 Ru6\n1.0\n4.117378 -13.260424 0.000000\n4.117378 13.260424 0.000000\n0.000000 0.000000 4.478935\nBa Sn Ru\n2 12 6\ndirect\n0.411697 0.588303 0.250000 Ba\n0.588303 0.411697 0.750000 Ba\n0.865053 0.134947 0.250000 Sn\n0.134947 0.865053 0.750000 Sn\n0.239311 0.147455 0.250000 Sn\n0.147455 0.239311 0.750000 Sn\n0.760689 0.852545 0.750000 Sn\n0.852545 0.760689 0.250000 Sn\n0.249787 0.750213 0.250000 Sn\n0.750213 0.249787 0.750000 Sn\n0.486314 0.132927 0.250000 Sn\n0.132927 0.486314 0.750000 Sn\n0.513686 0.867073 0.750000 Sn\n0.867073 0.513686 0.250000 Sn\n0.596309 0.026609 0.250000 Ru\n0.026609 0.596309 0.750000 Ru\n0.403691 0.973391 0.750000 Ru\n0.973391 0.403691 0.250000 Ru\n0.961980 0.038020 0.250000 Ru\n0.038020 0.961980 0.750000 Ru\n",
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{
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