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{
"id": "mp-1026611",
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"structure_string": "Cs1 Mg14 B1\n1.0\n6.722581 0.206673 0.000000\n-3.182307 5.511916 0.000000\n0.000000 0.000000 10.369326\nCs Mg B\n1 14 1\ndirect\n0.101425 0.300712 0.125000 Cs\n0.173134 0.336567 0.625000 Mg\n0.161122 0.830560 0.625000 Mg\n0.611509 0.307056 0.125000 Mg\n0.659821 0.336944 0.625000 Mg\n0.611509 0.804451 0.125000 Mg\n0.659821 0.822876 0.625000 Mg\n0.341911 0.156389 0.379390 Mg\n0.341911 0.156389 0.870610 Mg\n0.341911 0.685523 0.379390 Mg\n0.341911 0.685523 0.870610 Mg\n0.817535 0.158768 0.400973 Mg\n0.817535 0.158768 0.849027 Mg\n0.847481 0.673741 0.355311 Mg\n0.847481 0.673741 0.894689 Mg\n0.323985 0.911992 0.125000 B\n",
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{
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"structure_string": "Ni32 P12\n1.0\n12.781511 -3.288326 0.000000\n12.781511 3.288326 0.000000\n11.935517 0.000000 5.632366\nNi P\n32 12\ndirect\n0.619710 0.154722 0.386329 Ni\n0.154722 0.386329 0.619710 Ni\n0.845278 0.613671 0.380290 Ni\n0.613671 0.380290 0.845278 Ni\n0.380290 0.845278 0.613671 Ni\n0.113671 0.345278 0.880290 Ni\n0.345278 0.880290 0.113671 Ni\n0.880290 0.113671 0.345278 Ni\n0.517235 0.143252 0.789598 Ni\n0.143252 0.789598 0.517235 Ni\n0.789598 0.517235 0.143252 Ni\n0.643252 0.017235 0.289598 Ni\n0.017235 0.289598 0.643252 Ni\n0.289598 0.643252 0.017235 Ni\n0.982765 0.710402 0.356748 Ni\n0.710402 0.356748 0.982765 Ni\n0.356748 0.982765 0.710402 Ni\n0.210402 0.482765 0.856748 Ni\n0.482765 0.856748 0.210402 Ni\n0.856748 0.210402 0.482765 Ni\n0.386329 0.619710 0.154722 Ni\n0.654722 0.119710 0.886329 Ni\n0.886329 0.654722 0.119710 Ni\n0.119710 0.886329 0.654722 Ni\n0.441809 0.441809 0.441809 Ni\n0.941809 0.941809 0.941809 Ni\n0.281277 0.281277 0.281277 Ni\n0.781277 0.781277 0.781277 Ni\n0.558191 0.558191 0.558191 Ni\n0.058191 0.058191 0.058191 Ni\n0.218723 0.218723 0.218723 Ni\n0.718723 0.718723 0.718723 Ni\n0.067893 0.750000 0.432107 P\n0.432107 0.067893 0.750000 P\n0.750000 0.432107 0.067893 P\n0.567893 0.932107 0.250000 P\n0.250000 0.567893 0.932107 P\n0.932107 0.250000 0.567893 P\n0.341241 0.341241 0.341241 P\n0.841241 0.841241 0.841241 P\n0.658759 0.658759 0.658759 P\n0.158759 0.158759 0.158759 P\n0.500000 0.500000 0.500000 P\n0.000000 0.000000 0.000000 P\n",
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{
"id": "mp-767696",
"created_at": "2022-09-04T14:42:42.768249Z",
"structure_string": "V4 Co2 H16 O20\n1.0\n5.026990 6.711716 0.000000\n-5.026990 6.711716 0.000000\n0.000000 2.433434 6.696836\nV Co H O\n4 2 16 20\ndirect\n0.875399 0.916110 0.190960 V\n0.916110 0.875399 0.690960 V\n0.083890 0.124601 0.309040 V\n0.124601 0.083890 0.809040 V\n0.000000 0.500000 0.500000 Co\n0.500000 0.000000 0.000000 Co\n0.580957 0.806096 0.503962 H\n0.396437 0.778927 0.588293 H\n0.259565 0.506881 0.208544 H\n0.806096 0.580957 0.003962 H\n0.532280 0.668741 0.096272 H\n0.778927 0.396437 0.088293 H\n0.506881 0.259565 0.708544 H\n0.668741 0.532280 0.596272 H\n0.331259 0.467720 0.403728 H\n0.493119 0.740435 0.291456 H\n0.221073 0.603563 0.911707 H\n0.467720 0.331259 0.903728 H\n0.193904 0.419043 0.996038 H\n0.740435 0.493119 0.791456 H\n0.603563 0.221073 0.411707 H\n0.419043 0.193904 0.496038 H\n0.898091 0.985860 0.419527 O\n0.985860 0.898091 0.919527 O\n0.897214 0.706683 0.300749 O\n0.706683 0.897214 0.800749 O\n0.004535 0.331924 0.314252 O\n0.465712 0.765492 0.156955 O\n0.275796 0.488936 0.974331 O\n0.331924 0.004535 0.814252 O\n0.765492 0.465712 0.656955 O\n0.488936 0.275796 0.474331 O\n0.511064 0.724204 0.525669 O\n0.234508 0.534288 0.343045 O\n0.668076 0.995465 0.185748 O\n0.724204 0.511064 0.025669 O\n0.534288 0.234508 0.843045 O\n0.995465 0.668076 0.685748 O\n0.293317 0.102786 0.199251 O\n0.102786 0.293317 0.699251 O\n0.014140 0.101909 0.080473 O\n0.101909 0.014140 0.580473 O\n",
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"formula_full": "V4 Co2 H16 O20",
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"spacegroup": 15
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{
"id": "mp-1217188",
"created_at": "2022-09-04T14:42:42.780150Z",
"structure_string": "U7 Se12\n1.0\n0.000000 0.000000 -3.922621\n-5.748626 -9.956913 0.000000\n-5.748626 9.956913 0.000000\nU Se\n7 12\ndirect\n0.750000 0.000000 0.000000 U\n0.750000 0.428632 0.285819 U\n0.750000 0.714181 0.142813 U\n0.750000 0.857187 0.571368 U\n0.250000 0.558586 0.707592 U\n0.250000 0.292408 0.850994 U\n0.250000 0.149006 0.441414 U\n0.750000 0.251686 0.000705 Se\n0.750000 0.999295 0.250981 Se\n0.750000 0.749019 0.748314 Se\n0.250000 0.788489 0.998781 Se\n0.250000 0.001219 0.789708 Se\n0.250000 0.210292 0.211511 Se\n0.750000 0.144953 0.631190 Se\n0.750000 0.368810 0.513763 Se\n0.750000 0.486237 0.855047 Se\n0.250000 0.855692 0.381014 Se\n0.250000 0.618986 0.474678 Se\n0.250000 0.525322 0.144308 Se\n",
"nsites": 19,
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"elements": [
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"density": 9.66525775607356,
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"formula_full": "U7 Se12",
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{
"id": "mp-1206214",
"created_at": "2022-09-04T14:42:42.788922Z",
"structure_string": "Y2 Si3 Ir3\n1.0\n2.789121 0.000000 0.000000\n0.000000 2.789121 0.000000\n0.000000 0.000000 20.391949\nY Si Ir\n2 3 3\ndirect\n0.500000 0.500000 0.757743 Y\n0.500000 0.500000 0.242257 Y\n0.500000 0.500000 0.387157 Si\n0.500000 0.500000 0.612843 Si\n0.500000 0.500000 0.000000 Si\n0.500000 0.500000 0.110735 Ir\n0.500000 0.500000 0.889265 Ir\n0.500000 0.500000 0.500000 Ir\n",
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"formula_full": "Y2 Si3 Ir3",
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{
"id": "mp-1227014",
"created_at": "2022-09-04T14:42:42.793552Z",
"structure_string": "Cd4 Ga4 Se10\n1.0\n6.740637 0.000000 0.000000\n0.000000 7.223943 0.000000\n0.000000 3.565698 10.247684\nCd Ga Se\n4 4 10\ndirect\n0.511885 0.655106 0.880845 Cd\n0.487919 0.427629 0.317558 Cd\n0.011885 0.344894 0.119155 Cd\n0.987919 0.572371 0.682442 Cd\n0.505779 0.850316 0.495088 Ga\n0.500841 0.020765 0.103286 Ga\n0.000841 0.979235 0.896714 Ga\n0.005779 0.149684 0.504912 Ga\n0.109037 0.650055 0.900219 Se\n0.141274 0.215661 0.699842 Se\n0.139164 0.854404 0.473756 Se\n0.094351 0.443743 0.327391 Se\n0.134749 0.000704 0.102388 Se\n0.609037 0.349945 0.099781 Se\n0.634749 0.999296 0.897612 Se\n0.594351 0.556257 0.672609 Se\n0.639164 0.145596 0.526244 Se\n0.641274 0.784339 0.300158 Se\n",
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"formula_full": "Cd4 Ga4 Se10",
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{
"id": "mp-1214065",
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"structure_string": "Ca12 Ge4 O16 F4\n1.0\n5.398075 0.000000 0.000000\n0.000000 7.511398 0.000000\n0.000000 0.000000 13.300827\nCa Ge O F\n12 4 16 4\ndirect\n0.240750 0.250000 0.413259 Ca\n0.759250 0.750000 0.586741 Ca\n0.259250 0.750000 0.913259 Ca\n0.740750 0.250000 0.086741 Ca\n0.267822 0.006339 0.169902 Ca\n0.732178 0.993661 0.830098 Ca\n0.232178 0.993661 0.669902 Ca\n0.732178 0.506339 0.830098 Ca\n0.767822 0.006339 0.330098 Ca\n0.267822 0.493661 0.169902 Ca\n0.767822 0.493661 0.330098 Ca\n0.232178 0.506339 0.669902 Ca\n0.719016 0.250000 0.581986 Ge\n0.280984 0.750000 0.418014 Ge\n0.780984 0.750000 0.081986 Ge\n0.219016 0.250000 0.918014 Ge\n0.364725 0.250000 0.582306 O\n0.635275 0.750000 0.417694 O\n0.135275 0.750000 0.082306 O\n0.864725 0.250000 0.917694 O\n0.205023 0.540600 0.342807 O\n0.794977 0.459400 0.657193 O\n0.294977 0.459400 0.842807 O\n0.794977 0.040600 0.657193 O\n0.705023 0.540600 0.157193 O\n0.205023 0.959400 0.342807 O\n0.705023 0.959400 0.157193 O\n0.294977 0.040600 0.842807 O\n0.304038 0.250000 0.059962 O\n0.695962 0.750000 0.940038 O\n0.195962 0.750000 0.559962 O\n0.804038 0.250000 0.440038 O\n0.999538 0.250000 0.233407 F\n0.000462 0.750000 0.766593 F\n0.500462 0.750000 0.733407 F\n0.499538 0.250000 0.266593 F\n",
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{
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"structure_string": "Li8 V4 O8 F4\n1.0\n-3.009014 0.000161 -0.000448\n0.000625 -10.054243 0.071292\n-1.503305 -2.564130 7.400781\nLi V O F\n8 4 8 4\ndirect\n0.937855 0.295177 0.124810 Li\n0.920930 0.790637 0.158068 Li\n0.577987 0.957434 0.843805 Li\n0.572690 0.442283 0.854485 Li\n0.076879 0.700766 0.846097 Li\n0.420583 0.537478 0.159251 Li\n0.437832 0.056736 0.124643 Li\n0.065162 0.219287 0.869368 Li\n0.747467 0.859316 0.505130 V\n0.747733 0.370885 0.504349 V\n0.251042 0.630292 0.497852 V\n0.243177 0.137263 0.513594 V\n0.670314 0.165039 0.659571 O\n0.669231 0.664909 0.661747 O\n0.821970 0.580411 0.355685 O\n0.183243 0.925712 0.633837 O\n0.328253 0.832335 0.343381 O\n0.179847 0.424508 0.640377 O\n0.324294 0.332214 0.350979 O\n0.498788 0.250179 0.002493 O\n0.825299 0.079985 0.349264 F\n0.501328 0.750275 0.997295 F\n0.997942 0.508993 0.004493 F\n0.000237 0.987888 0.999429 F\n",
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{
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"formula_full": "Co30 O60",
"formula_reduced": "CoO2",
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{
"id": "mp-1177125",
"created_at": "2022-09-04T14:42:42.834644Z",
"structure_string": "Li5 Fe3 O2 F10\n1.0\n5.150577 0.009592 0.003708\n-2.569177 1.505635 4.699637\n2.564946 -7.425123 4.664810\nLi Fe O F\n5 3 2 10\ndirect\n0.135492 0.855777 0.581473 Li\n0.421261 0.919505 0.166893 Li\n0.336561 0.377815 0.672846 Li\n0.620065 0.591106 0.308104 Li\n0.674095 0.119670 0.827024 Li\n0.157883 0.390905 0.073562 Fe\n0.827605 0.093849 0.436435 Fe\n0.835574 0.611525 0.931673 Fe\n0.539630 0.617362 0.108391 O\n0.794795 0.262138 0.025671 O\n0.052157 0.535987 0.724253 F\n0.049299 0.036111 0.226234 F\n0.455965 0.887179 0.381434 F\n0.222697 0.269151 0.470219 F\n0.238253 0.796172 0.972833 F\n0.750165 0.730186 0.527101 F\n0.439051 0.378322 0.871870 F\n0.576978 0.130448 0.619840 F\n0.927340 0.441006 0.294705 F\n0.945132 0.955787 0.779440 F\n",
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{
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{
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"created_at": "2022-09-04T14:42:42.849187Z",
"structure_string": "Mg2 Co4 S8\n1.0\n-3.430149 3.465827 4.853785\n3.430149 -3.465827 4.853785\n3.430149 3.465827 -4.853785\nMg Co S\n2 4 8\ndirect\n0.000000 0.000000 0.500000 Mg\n0.000000 0.500000 0.000000 Mg\n0.373052 0.623052 0.750000 Co\n0.626948 0.376948 0.250000 Co\n0.000000 0.000000 0.000000 Co\n0.500000 0.000000 0.500000 Co\n0.741621 0.216543 0.974922 S\n0.741621 0.766699 0.525078 S\n0.726524 0.235629 0.490895 S\n0.258379 0.783457 0.025078 S\n0.755267 0.764371 0.990895 S\n0.258379 0.233301 0.474922 S\n0.244733 0.235629 0.009105 S\n0.273476 0.764371 0.509105 S\n",
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}