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{
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{
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{
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{
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"structure_string": "Cr4 Fe8 C40 Se16 O40\n1.0\n17.636630 0.000000 0.000000\n0.000000 6.684237 0.000000\n0.000000 2.024758 17.152530\nCr Fe C Se O\n4 8 40 16 40\ndirect\n0.383874 0.778698 0.618833 Cr\n0.883874 0.221302 0.881167 Cr\n0.116126 0.778698 0.118833 Cr\n0.616126 0.221302 0.381167 Cr\n0.462347 0.153862 0.197481 Fe\n0.650412 0.328418 0.135427 Fe\n0.150412 0.671582 0.364573 Fe\n0.349588 0.671582 0.864573 Fe\n0.962347 0.846138 0.302519 Fe\n0.849588 0.328418 0.635427 Fe\n0.537653 0.846138 0.802519 Fe\n0.037653 0.153862 0.697481 Fe\n0.087289 0.913528 0.703908 C\n0.066697 0.217521 0.597803 C\n0.111363 0.271076 0.750789 C\n0.374654 0.720457 0.961762 C\n0.692509 0.575431 0.102873 C\n0.403093 0.940876 0.524351 C\n0.903093 0.059124 0.975649 C\n0.758468 0.202389 0.645896 C\n0.566697 0.782479 0.902197 C\n0.807491 0.575431 0.602873 C\n0.700261 0.052947 0.364823 C\n0.299739 0.947053 0.635177 C\n0.433303 0.217521 0.097803 C\n0.258468 0.797611 0.854104 C\n0.388637 0.271076 0.250789 C\n0.529593 0.385631 0.399000 C\n0.888637 0.728924 0.249211 C\n0.125346 0.720457 0.461762 C\n0.178339 0.614746 0.066032 C\n0.200261 0.947053 0.135177 C\n0.625346 0.279543 0.038238 C\n0.933303 0.782479 0.402197 C\n0.470407 0.614369 0.601000 C\n0.611363 0.728924 0.749211 C\n0.029593 0.614369 0.101000 C\n0.970407 0.385631 0.899000 C\n0.096907 0.940876 0.024351 C\n0.821661 0.385254 0.933968 C\n0.412711 0.913528 0.203908 C\n0.307491 0.424569 0.897127 C\n0.912711 0.086472 0.296092 C\n0.241532 0.797611 0.354104 C\n0.587289 0.086472 0.796092 C\n0.741532 0.202389 0.145896 C\n0.596907 0.059124 0.475649 C\n0.678339 0.385254 0.433968 C\n0.321661 0.614746 0.566032 C\n0.799739 0.052947 0.864823 C\n0.874654 0.279543 0.538238 C\n0.192509 0.424569 0.397127 C\n0.085661 0.996789 0.323576 Se\n0.639288 0.456450 0.263027 Se\n0.540179 0.998725 0.307120 Se\n0.414339 0.996789 0.823576 Se\n0.360712 0.543550 0.736973 Se\n0.860712 0.456450 0.763027 Se\n0.959821 0.998725 0.807120 Se\n0.040179 0.001275 0.192880 Se\n0.585661 0.003211 0.176424 Se\n0.467053 0.522137 0.823320 Se\n0.967053 0.477863 0.676680 Se\n0.914339 0.003211 0.676424 Se\n0.139288 0.543550 0.236973 Se\n0.459821 0.001275 0.692880 Se\n0.532947 0.477863 0.176680 Se\n0.032947 0.522137 0.323320 Se\n0.781829 0.487689 0.966436 O\n0.412771 0.039429 0.464830 O\n0.608963 0.248825 0.975980 O\n0.781999 0.731125 0.583131 O\n0.416018 0.252275 0.033157 O\n0.891037 0.248825 0.475980 O\n0.281829 0.512311 0.533564 O\n0.718171 0.487689 0.466436 O\n0.391037 0.751175 0.024020 O\n0.700478 0.122791 0.651897 O\n0.251639 0.052508 0.143120 O\n0.751639 0.947492 0.356880 O\n0.299522 0.877209 0.348103 O\n0.841237 0.657798 0.215604 O\n0.281999 0.268875 0.916869 O\n0.912771 0.960571 0.035170 O\n0.083982 0.252275 0.533157 O\n0.341237 0.342202 0.284396 O\n0.583982 0.747725 0.966843 O\n0.380341 0.763751 0.205656 O\n0.658763 0.657798 0.715604 O\n0.916018 0.747725 0.466843 O\n0.087229 0.039429 0.964830 O\n0.718001 0.731125 0.083131 O\n0.478162 0.487538 0.409588 O\n0.108963 0.751175 0.524020 O\n0.248361 0.052508 0.643120 O\n0.799522 0.122791 0.151897 O\n0.587229 0.960571 0.535170 O\n0.748361 0.947492 0.856880 O\n0.218171 0.512311 0.033564 O\n0.119659 0.763751 0.705656 O\n0.021838 0.487538 0.909588 O\n0.521838 0.512462 0.590412 O\n0.978162 0.512462 0.090412 O\n0.880341 0.236249 0.294344 O\n0.200478 0.877209 0.848103 O\n0.619659 0.236249 0.794344 O\n0.218001 0.268875 0.416869 O\n0.158763 0.342202 0.784396 O\n",
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"elements": [
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"density_atomic": 0.05341068205001219,
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"formula_full": "Cr4 Fe8 C40 Se16 O40",
"formula_reduced": "CrFe2C10(Se2O5)2",
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"updated_at": "2021-11-28T01:36:23.926000Z",
"spacegroup": 14
},
{
"id": "mp-1198307",
"created_at": "2022-09-04T14:43:33.921321Z",
"structure_string": "Bi4 Se4 O24\n1.0\n-0.000736 0.000000 6.189185\n6.047620 0.000000 -2.574752\n0.000000 15.360280 0.000000\nBi Se O\n4 4 24\ndirect\n0.250050 0.860781 0.664284 Bi\n0.750050 0.360781 0.835716 Bi\n0.749950 0.139219 0.335716 Bi\n0.249950 0.639219 0.164284 Bi\n0.325456 0.407055 0.660055 Se\n0.825456 0.907055 0.839945 Se\n0.674544 0.592945 0.339945 Se\n0.174544 0.092945 0.160055 Se\n0.161583 0.169240 0.609704 O\n0.661583 0.669240 0.890296 O\n0.838417 0.830760 0.390296 O\n0.338417 0.330760 0.109704 O\n0.444210 0.627064 0.595586 O\n0.944210 0.127064 0.904414 O\n0.555790 0.372936 0.404414 O\n0.055790 0.872936 0.095586 O\n0.166164 0.488113 0.731437 O\n0.666164 0.988113 0.768563 O\n0.833836 0.511887 0.268563 O\n0.333836 0.011887 0.231437 O\n0.534303 0.344632 0.711079 O\n0.034303 0.844632 0.788921 O\n0.465697 0.655368 0.288921 O\n0.965697 0.155368 0.211079 O\n0.975745 0.669152 0.578661 O\n0.475745 0.169152 0.921339 O\n0.024255 0.330848 0.421339 O\n0.524255 0.830848 0.078661 O\n0.405580 0.955403 0.479662 O\n0.905580 0.455403 0.020338 O\n0.594420 0.044597 0.520338 O\n0.094420 0.544597 0.979662 O\n",
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{
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"structure_string": "Zr2 Sn4\n1.0\n0.000000 4.853104 4.997058\n2.865931 0.000000 4.997058\n2.865931 4.853104 0.000000\nZr Sn\n2 4\ndirect\n0.250000 0.250000 0.250000 Zr\n0.000000 0.000000 0.000000 Zr\n0.918820 0.581180 0.918820 Sn\n0.581180 0.918820 0.581180 Sn\n0.331180 0.668820 0.331180 Sn\n0.668820 0.331180 0.668820 Sn\n",
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{
"id": "mp-17228",
"created_at": "2022-09-04T14:43:56.369621Z",
"structure_string": "K4 Ni6 S8\n1.0\n0.000000 5.051327 13.135262\n2.878858 0.000000 13.135262\n2.878858 5.051327 0.000000\nK Ni S\n4 6 8\ndirect\n0.078170 0.078170 0.921830 K\n0.921830 0.921830 0.078170 K\n0.171830 0.171830 0.328170 K\n0.328170 0.328170 0.171830 K\n0.999271 0.999271 0.500729 Ni\n0.500729 0.500729 0.999271 Ni\n0.250729 0.250729 0.749271 Ni\n0.749271 0.749271 0.250729 Ni\n0.500000 0.500000 0.500000 Ni\n0.750000 0.750000 0.750000 Ni\n0.384513 0.725455 0.283322 S\n0.606710 0.283322 0.725455 S\n0.283322 0.606710 0.384513 S\n0.725455 0.384513 0.606710 S\n0.865487 0.524545 0.966678 S\n0.643290 0.966678 0.524545 S\n0.524545 0.865487 0.643290 S\n0.966678 0.643290 0.865487 S\n",
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]
}