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{
"id": "mp-1200037",
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"structure_string": "K20 Na4 Fe8 C48 O96\n1.0\n13.803140 0.000000 -0.000000\n-0.000000 13.803140 0.000000\n0.000000 0.000000 13.803140\nK Na Fe C O\n20 4 8 48 96\ndirect\n0.079936 0.579936 0.920064 K\n0.920064 0.079936 0.579936 K\n0.579936 0.920064 0.079936 K\n0.420064 0.420064 0.420064 K\n0.670064 0.170064 0.329936 K\n0.170064 0.329936 0.670064 K\n0.329936 0.670064 0.170064 K\n0.829936 0.829936 0.829936 K\n0.759153 0.509153 0.875000 K\n0.240847 0.009153 0.625000 K\n0.009153 0.625000 0.240847 K\n0.990847 0.125000 0.259153 K\n0.125000 0.259153 0.990847 K\n0.875000 0.759153 0.509153 K\n0.259153 0.990847 0.125000 K\n0.740847 0.490847 0.375000 K\n0.509153 0.875000 0.759153 K\n0.490847 0.375000 0.740847 K\n0.625000 0.240847 0.009153 K\n0.375000 0.740847 0.490847 K\n0.875000 0.375000 0.125000 Na\n0.125000 0.875000 0.375000 Na\n0.375000 0.125000 0.875000 Na\n0.625000 0.625000 0.625000 Na\n0.239485 0.739485 0.760515 Fe\n0.760515 0.239485 0.739485 Fe\n0.739485 0.760515 0.239485 Fe\n0.260515 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0.656859 O\n0.474227 0.502301 0.156859 O\n0.974227 0.997699 0.843141 O\n0.497699 0.656859 0.025773 O\n0.502301 0.156859 0.474227 O\n0.002301 0.343141 0.525773 O\n0.997699 0.843141 0.974227 O\n0.656859 0.025773 0.497699 O\n0.156859 0.474227 0.502301 O\n0.343141 0.525773 0.002301 O\n0.843141 0.974227 0.997699 O\n0.295006 0.872363 0.798579 O\n0.704994 0.372363 0.701421 O\n0.372363 0.701421 0.704994 O\n0.627637 0.201421 0.795006 O\n0.201421 0.795006 0.627637 O\n0.798579 0.295006 0.872363 O\n0.795006 0.627637 0.201421 O\n0.204994 0.127637 0.298579 O\n0.872363 0.798579 0.295006 O\n0.127637 0.298579 0.204994 O\n0.701421 0.704994 0.372363 O\n0.298579 0.204994 0.127637 O\n0.377637 0.954994 0.451421 O\n0.877637 0.545006 0.548579 O\n0.622363 0.454994 0.048579 O\n0.122363 0.045006 0.951421 O\n0.545006 0.548579 0.877637 O\n0.454994 0.048579 0.622363 O\n0.954994 0.451421 0.377637 O\n0.045006 0.951421 0.122363 O\n0.548579 0.877637 0.545006 O\n0.048579 0.622363 0.454994 O\n0.451421 0.377637 0.954994 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O\n0.959107 0.928941 0.343496 O\n0.040893 0.428941 0.156504 O\n0.571059 0.656504 0.459107 O\n0.428941 0.156504 0.040893 O\n0.290893 0.906504 0.321059 O\n0.790893 0.593496 0.678941 O\n0.709107 0.406504 0.178941 O\n0.209107 0.093496 0.821059 O\n0.593496 0.678941 0.790893 O\n0.406504 0.178941 0.709107 O\n0.906504 0.321059 0.290893 O\n0.093496 0.821059 0.209107 O\n0.678941 0.790893 0.593496 O\n0.178941 0.709107 0.406504 O\n0.321059 0.290893 0.906504 O\n0.821059 0.209107 0.093496 O\n",
"nsites": 176,
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"elements": [
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"Na",
"Fe",
"C",
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],
"chemical_system": "C-Fe-K-Na-O",
"density": 2.1677393884156353,
"density_atomic": 0.06692355290146132,
"volume": 2629.8663530183994,
"volume_molar": 8.998537135150372,
"formula_full": "K20 Na4 Fe8 C48 O96",
"formula_reduced": "K5NaFe2(CO2)12",
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"energy": -1327.34250593,
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"updated_at": "2021-11-28T01:37:26.120000Z",
"spacegroup": 212
},
{
"id": "mp-680298",
"created_at": "2022-09-04T14:46:12.805855Z",
"structure_string": "Rb24 Ta40 O112\n1.0\n7.455415 0.000000 0.000000\n0.000000 14.934423 0.000000\n0.000000 0.000000 25.648321\nRb Ta O\n24 40 112\ndirect\n0.272411 0.013243 0.480635 Rb\n0.870475 0.002824 0.381889 Rb\n0.227589 0.513243 0.980635 Rb\n0.376894 0.750000 0.206028 Rb\n0.272411 0.486757 0.480635 Rb\n0.727589 0.986757 0.519365 Rb\n0.123106 0.250000 0.706028 Rb\n0.370475 0.002824 0.118111 Rb\n0.651576 0.750000 0.792546 Rb\n0.727589 0.513243 0.519365 Rb\n0.370475 0.497176 0.118111 Rb\n0.876894 0.750000 0.293972 Rb\n0.870475 0.497176 0.381889 Rb\n0.848424 0.250000 0.292546 Rb\n0.227589 0.986757 0.980635 Rb\n0.629525 0.997176 0.881889 Rb\n0.772411 0.013243 0.019365 Rb\n0.772411 0.486757 0.019365 Rb\n0.129525 0.997176 0.618111 Rb\n0.129525 0.502824 0.618111 Rb\n0.348424 0.250000 0.207454 Rb\n0.623106 0.250000 0.793972 Rb\n0.629525 0.502824 0.881889 Rb\n0.151576 0.750000 0.707454 Rb\n0.370262 0.619295 0.356429 Ta\n0.916806 0.250000 0.938634 Ta\n0.416806 0.250000 0.561366 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"elements": [
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],
"chemical_system": "O-Rb-Ta",
"density": 6.443350969341133,
"density_atomic": 0.06163018284514568,
"volume": 2855.7435963190997,
"volume_molar": 9.771414722444453,
"formula_full": "Rb24 Ta40 O112",
"formula_reduced": "Rb3Ta5O14",
"formula_anonymous": "A3B5C14",
"energy": -1608.69895803,
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"updated_at": "2021-11-28T01:37:24.198000Z",
"spacegroup": 62
},
{
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"created_at": "2022-09-04T14:42:19.984542Z",
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"updated_at": "2021-11-28T01:35:43.077000Z",
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{
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"updated_at": "2021-11-28T01:36:00.798000Z",
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},
{
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{
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{
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{
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"updated_at": "2021-11-28T01:35:07.855000Z",
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},
{
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},
{
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"elements": [
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"updated_at": "2021-11-28T01:36:26.517000Z",
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},
{
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"created_at": "2022-09-04T14:45:04.351415Z",
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"updated_at": "2021-11-28T01:36:51.159000Z",
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}
]
}