RbCr2CdF8
Alexandria ALEXAlex-ID: agm004909511 · 空间群: P2/m (#10)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D8_356_spg65
RbCrCdF6 CrF2
2022-12-20 03:36:02.734991
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004909511).
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
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# CIF generated by HEAS from Alexandria entry agm004909511
data_agm004909511
_cell_length_a 5.29649
_cell_length_b 5.25496
_cell_length_c 6.82469
_cell_angle_alpha 89.95476
_cell_angle_beta 89.95405
_cell_angle_gamma 87.87377
_cell_volume 189.81992
_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
Rb1 Rb 0.00000 0.00000 0.50000 1.00000
Cr1 Cr 0.50004 0.50004 0.75732 1.00000
Cr2 Cr 0.49996 0.49996 0.24268 1.00000
Cd1 Cd 0.00000 0.00000 0.00000 1.00000
F1 F 0.22463 0.75922 0.21491 1.00000
F2 F 0.67209 0.68525 0.99991 1.00000
F3 F 0.77497 0.24037 0.21487 1.00000
F4 F 0.77537 0.24078 0.78509 1.00000
F5 F 0.32791 0.31475 0.00009 1.00000
F6 F 0.22503 0.75963 0.78513 1.00000
F7 F 0.64495 0.66175 0.49975 1.00000
F8 F 0.35505 0.33825 0.50025 1.00000
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