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{
"id": "mp-773671",
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"structure_string": "Mn3 Fe3 P6 O24\n1.0\n7.431917 -4.314418 0.000000\n7.431917 4.314418 0.000000\n4.927286 0.000000 7.040557\nMn Fe P O\n3 3 6 24\ndirect\n0.997895 0.997895 0.997895 Mn\n0.143585 0.143585 0.143585 Mn\n0.499968 0.499968 0.499968 Mn\n0.646051 0.646051 0.646051 Fe\n0.854941 0.854941 0.854941 Fe\n0.355009 0.355009 0.355009 Fe\n0.957285 0.251109 0.539108 P\n0.539108 0.957285 0.251109 P\n0.251109 0.539108 0.957285 P\n0.752700 0.455702 0.046621 P\n0.455702 0.046621 0.752700 P\n0.046621 0.752700 0.455702 P\n0.500500 0.110985 0.318434 O\n0.318434 0.500500 0.110985 O\n0.110985 0.318434 0.500500 O\n0.943066 0.088476 0.734101 O\n0.995511 0.189436 0.379006 O\n0.760260 0.412350 0.554006 O\n0.734101 0.943066 0.088476 O\n0.554006 0.760260 0.412350 O\n0.814701 0.612355 0.007866 O\n0.412350 0.554006 0.760260 O\n0.918526 0.257933 0.060133 O\n0.612355 0.007866 0.814701 O\n0.379006 0.995511 0.189436 O\n0.088476 0.734101 0.943066 O\n0.592398 0.435606 0.243416 O\n0.189436 0.379006 0.995511 O\n0.435606 0.243416 0.592398 O\n0.257933 0.060133 0.918526 O\n0.243416 0.592398 0.435606 O\n0.007866 0.814701 0.612355 O\n0.060134 0.918526 0.257933 O\n0.888334 0.693583 0.489056 O\n0.693583 0.489056 0.888334 O\n0.489056 0.888334 0.693583 O\n",
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{
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"structure_string": "Nd2 Mn2 Fe2 Bi2 O12\n1.0\n0.000000 -0.178924 3.966302\n7.445562 0.000000 0.000000\n0.000000 9.272962 -0.430315\nNd Mn Fe Bi O\n2 2 2 2 12\ndirect\n0.256064 0.811202 0.772654 Nd\n0.243936 0.311202 0.727346 Nd\n0.808548 0.542903 0.992805 Mn\n0.691452 0.042903 0.507195 Mn\n0.718136 0.561724 0.544299 Fe\n0.781864 0.061724 0.955701 Fe\n0.029038 0.282165 0.278955 Bi\n0.470962 0.782165 0.221045 Bi\n0.859104 0.569631 0.235214 O\n0.640896 0.069631 0.264786 O\n0.753545 0.483669 0.755691 O\n0.746455 0.983669 0.744309 O\n0.779086 0.812475 0.010433 O\n0.720914 0.312475 0.489567 O\n0.206233 0.060478 0.549738 O\n0.293767 0.560478 0.950262 O\n0.278695 0.082979 0.915831 O\n0.221305 0.582979 0.584169 O\n0.673703 0.792774 0.453715 O\n0.826297 0.292774 0.046285 O\n",
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{
"id": "mp-1521272",
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"structure_string": "Ba2 Tb1 Hf1 O6\n1.0\n0.000000 -4.346496 -4.346496\n4.346496 0.000000 -4.346496\n4.346496 -4.346496 0.000000\nBa Tb Hf O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Tb\n-0.000000 -0.000000 0.000000 Hf\n0.760035 0.239965 0.239965 O\n0.239965 0.760035 0.760035 O\n0.760035 0.239965 0.760035 O\n0.239965 0.760035 0.239965 O\n0.760035 0.760035 0.239965 O\n0.239965 0.239965 0.760035 O\n",
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"formula_full": "Ba2 Tb1 Hf1 O6",
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"spacegroup": 225
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{
"id": "mp-13171",
"created_at": "2022-09-04T14:39:42.159234Z",
"structure_string": "Y3 Mg3 Cu3\n1.0\n3.750557 -6.496154 0.000000\n3.750557 6.496154 0.000000\n0.000000 0.000000 3.959539\nY Mg Cu\n3 3 3\ndirect\n0.000000 0.586308 0.000000 Y\n0.586308 0.000000 0.000000 Y\n0.413692 0.413692 0.000000 Y\n0.000000 0.243331 0.500000 Mg\n0.756669 0.756669 0.500000 Mg\n0.243331 0.000000 0.500000 Mg\n0.333333 0.666667 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.666667 0.333333 0.500000 Cu\n",
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"formula_full": "Y3 Mg3 Cu3",
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"updated_at": "2021-11-28T01:34:42.291000Z",
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{
"id": "mp-1202282",
"created_at": "2022-09-04T14:39:42.162873Z",
"structure_string": "Yb30 C38\n1.0\n8.194883 0.000000 0.000000\n0.000000 8.194883 0.000000\n0.000000 0.000000 15.982274\nYb C\n30 38\ndirect\n0.702244 0.904908 0.499359 Yb\n0.202244 0.595092 0.000641 Yb\n0.297756 0.095092 0.499359 Yb\n0.797756 0.404908 0.000641 Yb\n0.904908 0.297756 0.500641 Yb\n0.595092 0.797756 0.999359 Yb\n0.095092 0.702244 0.500641 Yb\n0.404908 0.202244 0.999359 Yb\n0.795141 0.603792 0.663369 Yb\n0.295141 0.896208 0.836631 Yb\n0.204859 0.396208 0.663369 Yb\n0.704859 0.103792 0.836631 Yb\n0.603792 0.204859 0.336631 Yb\n0.896208 0.704859 0.163369 Yb\n0.396208 0.795141 0.336631 Yb\n0.103792 0.295141 0.163369 Yb\n0.598748 0.211837 0.650076 Yb\n0.098748 0.288163 0.849924 Yb\n0.401252 0.788163 0.650076 Yb\n0.901252 0.711837 0.849924 Yb\n0.211837 0.401252 0.349924 Yb\n0.288163 0.901252 0.150076 Yb\n0.788163 0.598748 0.349924 Yb\n0.711837 0.098748 0.150076 Yb\n0.000000 0.000000 0.331426 Yb\n0.500000 0.500000 0.168574 Yb\n0.000000 0.000000 0.668574 Yb\n0.500000 0.500000 0.831426 Yb\n0.500000 0.500000 0.500000 Yb\n0.000000 0.000000 0.000000 Yb\n0.596798 0.200372 0.492433 C\n0.096798 0.299628 0.007567 C\n0.403202 0.799628 0.492433 C\n0.903202 0.700372 0.007567 C\n0.200372 0.403202 0.507567 C\n0.299628 0.903202 0.992433 C\n0.799628 0.596798 0.507567 C\n0.700372 0.096798 0.992433 C\n0.700918 0.917288 0.660897 C\n0.200918 0.582712 0.839103 C\n0.299082 0.082712 0.660897 C\n0.799082 0.417288 0.839103 C\n0.917288 0.299082 0.339103 C\n0.582712 0.799082 0.160897 C\n0.082712 0.700918 0.339103 C\n0.417288 0.200918 0.160897 C\n0.657210 0.858563 0.734942 C\n0.157210 0.641437 0.765058 C\n0.342790 0.141437 0.734942 C\n0.842790 0.358563 0.765058 C\n0.858563 0.342790 0.265058 C\n0.641437 0.842790 0.234942 C\n0.141437 0.657210 0.265058 C\n0.358563 0.157210 0.234942 C\n0.900116 0.292141 0.694698 C\n0.400116 0.207859 0.805302 C\n0.099884 0.707859 0.694698 C\n0.599884 0.792141 0.805302 C\n0.292141 0.099884 0.305302 C\n0.207859 0.599884 0.194698 C\n0.707859 0.900116 0.305302 C\n0.792141 0.400116 0.194698 C\n0.500000 0.500000 0.659767 C\n0.000000 0.000000 0.840233 C\n0.500000 0.500000 0.340233 C\n0.000000 0.000000 0.159767 C\n0.500000 0.500000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
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"formula_full": "Yb30 C38",
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{
"id": "mp-1214156",
"created_at": "2022-09-04T14:39:42.166274Z",
"structure_string": "Ca2 Fe1 P2 H4 O10\n1.0\n5.424419 0.001858 -1.236313\n-1.893859 5.462720 -0.004806\n-0.033921 0.004659 6.633872\nCa Fe P H O\n2 1 2 4 10\ndirect\n0.168035 0.401860 0.767588 Ca\n0.831965 0.598140 0.232412 Ca\n0.500000 0.000000 0.000000 Fe\n0.148302 0.242134 0.232919 P\n0.851698 0.757866 0.767081 P\n0.416441 0.720936 0.333953 H\n0.583559 0.279064 0.666047 H\n0.309663 0.066798 0.570580 H\n0.690337 0.933202 0.429420 H\n0.375004 0.298055 0.115988 O\n0.624996 0.701945 0.884012 O\n0.118994 0.999654 0.334311 O\n0.881006 0.000346 0.665689 O\n0.431950 0.154828 0.705723 O\n0.568050 0.845172 0.294277 O\n0.894199 0.241540 0.068987 O\n0.105801 0.758460 0.931013 O\n0.200867 0.459228 0.396606 O\n0.799133 0.540772 0.603394 O\n",
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{
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"structure_string": "Zn9 Ag9\n1.0\n2.899787 0.000000 0.000000\n-0.089340 7.659448 0.000000\n-0.072305 -0.145914 13.268560\nZn Ag\n9 9\ndirect\n0.763798 0.004091 0.331501 Zn\n0.757772 0.495361 0.830046 Zn\n0.247323 0.497916 0.169991 Zn\n0.246899 0.999860 0.666310 Zn\n0.751625 0.662236 0.016902 Zn\n0.751611 0.159479 0.514184 Zn\n0.751798 0.648068 0.323125 Zn\n0.982104 0.003223 0.001763 Zn\n0.924404 0.503243 0.498457 Zn\n0.748270 0.142034 0.824468 Ag\n0.735471 0.190277 0.161721 Ag\n0.740013 0.694114 0.660597 Ag\n0.270428 0.836195 0.479841 Ag\n0.264315 0.344221 0.985462 Ag\n0.257108 0.847075 0.174103 Ag\n0.259419 0.352537 0.666812 Ag\n0.280009 0.316069 0.347426 Ag\n0.267633 0.804002 0.847292 Ag\n",
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{
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"structure_string": "Li8 Ni4 Sn4 O16\n1.0\n3.546605 4.252442 2.596653\n5.228966 3.209151 -5.290395\n-5.229924 3.239716 -5.270696\nLi Ni Sn O\n8 4 4 16\ndirect\n0.000000 0.000000 0.000000 Li\n0.000012 0.249980 0.250019 Li\n0.000000 0.500000 0.500000 Li\n0.999988 0.750019 0.749980 Li\n0.500000 0.374950 0.874950 Li\n0.500000 0.625050 0.125050 Li\n0.500000 0.874973 0.374973 Li\n0.500000 0.125027 0.625027 Li\n0.000001 0.375225 0.875224 Ni\n0.999999 0.624774 0.124775 Ni\n0.999996 0.875186 0.375178 Ni\n0.000003 0.124820 0.624824 Ni\n0.500000 0.500000 0.500000 Sn\n0.499972 0.750011 0.749989 Sn\n0.500000 0.000000 0.000000 Sn\n0.500028 0.249989 0.250011 Sn\n0.247873 0.240343 0.759711 O\n0.247818 0.490346 0.009666 O\n0.247872 0.740302 0.259670 O\n0.247845 0.990330 0.509683 O\n0.752127 0.759657 0.240289 O\n0.752155 0.009670 0.490317 O\n0.752128 0.259698 0.740330 O\n0.752182 0.509653 0.990334 O\n0.739899 0.624537 0.625600 O\n0.739899 0.874416 0.875478 O\n0.739862 0.124561 0.125565 O\n0.739862 0.374451 0.375454 O\n0.260101 0.125584 0.124522 O\n0.260101 0.375462 0.374400 O\n0.260138 0.625549 0.624546 O\n0.260138 0.875439 0.874435 O\n",
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{
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