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sanhuang6

гæ (³õÈëÎÄ̳)

[ÇóÖú] µ¥Ð±ÏàCsPbBr3µÄcifÎļþ ÒÑÓÐ1È˲ÎÓë

ÓÐûÓÐÄÄλ´óÉñÓе¥Ð±ÏàCsPbBr3¾§Ìå½á¹¹¶ÔÓ¦µÄcifÎļþ£¿Èç¹ûÓÐÇë·¢ÎÒÓÊÏäk670169max216@163.com@jackdeng
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wangyikeco

ľ³æ (ÕýʽдÊÖ)

newbie

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# generated using pymatgen
data_CsPbBr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.01733400
_cell_length_b   6.01733400
_cell_length_c   6.01733400
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CsPbBr3
_chemical_formula_sum   'Cs1 Pb1 Br3'
_cell_volume   217.87748562
_cell_formula_units_Z   1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
  Cs  Cs0  1  0.50000000  0.50000000  0.50000000  1
  Pb  Pb1  1  0.00000000  0.00000000  0.00000000  1
  Br  Br2  1  0.00000000  0.00000000  0.50000000  1
  Br  Br3  1  0.00000000  0.50000000  0.00000000  1
  Br  Br4  1  0.50000000  0.00000000  0.00000000  1
2Â¥2021-05-26 01:05:10
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

sanhuang6

гæ (³õÈëÎÄ̳)

ÒýÓûØÌû:
2Â¥: Originally posted by wangyikeco at 2021-05-26 01:05:10
# generated using pymatgen
data_CsPbBr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.01733400
_cell_length_b   6.01733400
_cell_length_c   6.01733400
_cell_angle_alpha   90.0000000 ...

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