Pm2CrF8
Alexandria ALEXAlex-ID: agm005881981 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C8_523_spg12
CrF2 PmF3
2023-10-15 12:17:43.219846
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005881981).
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 agm005881981
data_agm005881981
_cell_length_a 3.62889
_cell_length_b 5.65866
_cell_length_c 8.16523
_cell_angle_alpha 92.02992
_cell_angle_beta 102.29612
_cell_angle_gamma 94.14568
_cell_volume 163.17318
_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
Cr1 Cr 0.50000 0.00000 0.00000 1.00000
F1 F 0.59810 0.43549 0.21165 1.00000
F2 F 0.32483 0.07497 0.74838 1.00000
F3 F 0.22700 0.32105 0.48618 1.00000
F4 F 0.06295 0.77057 0.03013 1.00000
F5 F 0.77300 0.67895 0.51382 1.00000
F6 F 0.67517 0.92503 0.25162 1.00000
F7 F 0.40190 0.56451 0.78835 1.00000
F8 F 0.93705 0.22943 0.96987 1.00000
Pm1 Pm 0.16694 0.64653 0.30539 1.00000
Pm2 Pm 0.83306 0.35347 0.69461 1.00000
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