K2SrBiF8
Alexandria ALEXAlex-ID: agm004892575 · 空间群: Pmmm (#47)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D8_437_spg47
K3BiF7 K2BiF5 KBiF6 SrF2
2023-01-08 18:39:44.036319
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004892575).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
晶体结构 3D 渲染
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm004892575
data_agm004892575
_cell_length_a 4.01412
_cell_length_b 6.29689
_cell_length_c 8.23964
_cell_angle_alpha 89.99972
_cell_angle_beta 89.99984
_cell_angle_gamma 90.03631
_cell_volume 208.26897
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
K1 K 0.50000 0.50000 0.74160 1.00000
K2 K 0.50000 0.50000 0.25840 1.00000
Sr1 Sr 0.00000 0.00000 0.50000 1.00000
Bi1 Bi 0.00000 0.00000 0.00000 1.00000
F1 F 0.00046 0.78882 0.21558 1.00000
F2 F 0.50031 0.80700 0.00000 1.00000
F3 F 0.99954 0.21118 0.21558 1.00000
F4 F 0.99954 0.21118 0.78442 1.00000
F5 F 0.49969 0.19300 1.00000 1.00000
F6 F 0.00046 0.78882 0.78442 1.00000
F7 F 0.49982 0.76962 0.50000 1.00000
F8 F 0.50018 0.23038 0.50000 1.00000
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