TbCr2F8
Alexandria ALEXAlex-ID: agm005998489 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C8_493_spg12
TbCrF6 CrF2
2023-10-15 13:17:18.157943
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005998489).
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 agm005998489
data_agm005998489
_cell_length_a 4.38072
_cell_length_b 6.12995
_cell_length_c 7.24164
_cell_angle_alpha 126.20215
_cell_angle_beta 90.00407
_cell_angle_gamma 92.28478
_cell_volume 156.72845
_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 0.26102 0.23735 0.61867 1.00000
Cr2 Cr 0.73898 0.76265 0.38131 1.00000
Tb1 Tb 0.00000 0.00000 0.99999 1.00000
F1 F 0.24433 0.82495 0.41241 1.00000
F2 F 0.75567 0.17505 0.58755 1.00000
F3 F 0.75168 0.78851 0.12317 1.00000
F4 F 0.24812 0.21163 0.33473 1.00000
F5 F 0.26162 0.63234 0.81627 1.00000
F6 F 0.24832 0.21150 0.87682 1.00000
F7 F 0.75189 0.78836 0.66525 1.00000
F8 F 0.73838 0.36766 0.18373 1.00000
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