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{
"id": "mp-1523044",
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"structure_string": "Sr1 Ce1 Pr1 Co1 O6\n1.0\n-0.000000 -4.066094 -4.066094\n4.066094 0.000000 -4.066094\n4.066094 -4.066094 0.000000\nSr Ce Pr Co O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.000000 0.000000 0.000000 Ce\n0.750000 0.750000 0.750000 Pr\n0.500000 0.500000 0.500000 Co\n0.732518 0.267482 0.267482 O\n0.267482 0.732518 0.732518 O\n0.732518 0.267482 0.732518 O\n0.267482 0.732518 0.267482 O\n0.732518 0.732518 0.267482 O\n0.267482 0.267482 0.732518 O\n",
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{
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"structure_string": "Ca2 H32 O20\n1.0\n5.914584 0.000000 0.000000\n0.125679 6.957539 0.000000\n0.505464 0.069607 11.037713\nCa H O\n2 32 20\ndirect\n0.014167 0.945922 0.266038 Ca\n0.001636 0.011887 0.746240 Ca\n0.296086 0.411516 0.360824 H\n0.965918 0.283115 0.387586 H\n0.958959 0.554033 0.394757 H\n0.708974 0.658526 0.379405 H\n0.646280 0.238343 0.360871 H\n0.495986 0.986083 0.367036 H\n0.332935 0.874975 0.458431 H\n0.849238 0.339079 0.937590 H\n0.037100 0.373442 0.838388 H\n0.238098 0.634498 0.858752 H\n0.965100 0.672610 0.880180 H\n0.354388 0.266263 0.859590 H\n0.274513 0.121428 0.967694 H\n0.537846 0.990878 0.863779 H\n0.703778 0.912137 0.958389 H\n0.864156 0.696510 0.552865 H\n0.967491 0.557061 0.647949 H\n0.269002 0.365782 0.646137 H\n0.106073 0.332005 0.537092 H\n0.459126 0.956134 0.625834 H\n0.368443 0.743814 0.651628 H\n0.632537 0.234795 0.641700 H\n0.708515 0.118156 0.518298 H\n0.145393 0.730673 0.038625 H\n0.039200 0.571956 0.123014 H\n0.022630 0.266688 0.111267 H\n0.772420 0.368434 0.151197 H\n0.521182 0.980861 0.132988 H\n0.630862 0.775051 0.139861 H\n0.326473 0.232917 0.151881 H\n0.629214 0.565224 0.713757 H\n0.357832 0.567971 0.186998 H\n0.075575 0.384544 0.405646 O\n0.866217 0.693293 0.392363 O\n0.738743 0.122634 0.378836 O\n0.352260 0.910027 0.371437 O\n0.879335 0.333104 0.848856 O\n0.106834 0.741724 0.885529 O\n0.305669 0.127039 0.877148 O\n0.685446 0.918242 0.870198 O\n0.876591 0.677661 0.642289 O\n0.122930 0.308733 0.629300 O\n0.322232 0.873321 0.621865 O\n0.682660 0.107121 0.612890 O\n0.134462 0.690937 0.126910 O\n0.905311 0.373944 0.095001 O\n0.669613 0.910117 0.125971 O\n0.236841 0.124596 0.125579 O\n0.469425 0.455010 0.339042 O\n0.388007 0.486038 0.834293 O\n0.473054 0.514519 0.707896 O\n0.480038 0.470850 0.206171 O\n",
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{
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{
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"created_at": "2022-09-04T14:44:11.773715Z",
"structure_string": "Pr12 Ti4 Cl20 O16\n1.0\n4.073939 0.000000 0.000000\n0.000000 14.692066 0.000000\n0.000000 0.000000 16.819827\nPr Ti Cl O\n12 4 20 16\ndirect\n0.250000 0.261076 0.129813 Pr\n0.750000 0.738924 0.870187 Pr\n0.750000 0.761076 0.370187 Pr\n0.250000 0.238924 0.629813 Pr\n0.250000 0.084287 0.379168 Pr\n0.750000 0.915713 0.620832 Pr\n0.750000 0.584287 0.120832 Pr\n0.250000 0.415713 0.879168 Pr\n0.250000 0.580820 0.620516 Pr\n0.750000 0.419180 0.379484 Pr\n0.750000 0.080820 0.879484 Pr\n0.250000 0.919180 0.120516 Pr\n0.250000 0.589465 0.291442 Ti\n0.750000 0.410535 0.708558 Ti\n0.750000 0.089465 0.208558 Ti\n0.250000 0.910535 0.791442 Ti\n0.250000 0.715823 0.021336 Cl\n0.750000 0.284177 0.978664 Cl\n0.750000 0.215823 0.478664 Cl\n0.250000 0.784177 0.521336 Cl\n0.250000 0.096570 0.016337 Cl\n0.750000 0.903430 0.983663 Cl\n0.750000 0.596570 0.483663 Cl\n0.250000 0.403430 0.516337 Cl\n0.250000 0.899443 0.297854 Cl\n0.750000 0.100557 0.702146 Cl\n0.750000 0.399443 0.202146 Cl\n0.250000 0.600557 0.797854 Cl\n0.250000 0.274681 0.320481 Cl\n0.750000 0.725319 0.679519 Cl\n0.750000 0.774681 0.179519 Cl\n0.250000 0.225319 0.820481 Cl\n0.250000 0.442918 0.054165 Cl\n0.750000 0.557082 0.945835 Cl\n0.750000 0.942918 0.445835 Cl\n0.250000 0.057082 0.554165 Cl\n0.250000 0.091377 0.208420 O\n0.750000 0.908623 0.791580 O\n0.750000 0.591377 0.291580 O\n0.250000 0.408623 0.708420 O\n0.250000 0.698979 0.345701 O\n0.750000 0.301021 0.654299 O\n0.750000 0.198979 0.154299 O\n0.250000 0.801021 0.845701 O\n0.250000 0.589976 0.181643 O\n0.750000 0.410024 0.818357 O\n0.750000 0.089976 0.318357 O\n0.250000 0.910024 0.681643 O\n0.250000 0.481574 0.348274 O\n0.750000 0.518426 0.651726 O\n0.750000 0.981574 0.151726 O\n0.250000 0.018426 0.848274 O\n",
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"formula_full": "Pr12 Ti4 Cl20 O16",
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{
"id": "mp-1191775",
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"structure_string": "B2 As2 H8 N2 O8 F2\n1.0\n4.108406 2.251637 0.000000\n-4.108406 2.251637 0.000000\n0.000000 0.019324 12.875274\nB As H N O F\n2 2 8 2 8 2\ndirect\n0.574371 0.254922 0.691518 B\n0.254922 0.574371 0.191518 B\n0.905035 0.939094 0.772732 As\n0.939094 0.905035 0.272732 As\n0.807667 0.282396 0.960755 H\n0.282396 0.807667 0.460755 H\n0.781903 0.622632 0.986771 H\n0.622632 0.781903 0.486771 H\n0.428652 0.250859 0.955340 H\n0.250859 0.428652 0.455340 H\n0.614992 0.292401 0.071109 H\n0.292401 0.614992 0.571109 H\n0.660245 0.362791 0.994521 N\n0.362791 0.660245 0.494521 N\n0.770617 0.513129 0.771376 O\n0.513129 0.770617 0.271376 O\n0.562271 0.942942 0.721451 O\n0.942942 0.562271 0.221451 O\n0.220539 0.165238 0.679969 O\n0.165238 0.220539 0.179969 O\n0.007771 0.068048 0.896354 O\n0.068048 0.007770 0.396354 O\n0.721719 0.370369 0.590833 F\n0.370369 0.721719 0.090833 F\n",
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{
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{
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{
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{
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