TbV2F8
Alexandria ALEXAlex-ID: agm005998230 · 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_1485_spg12
VF2 VF3 TbF3
2023-10-17 16:43:22.246048
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005998230).
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 agm005998230
data_agm005998230
_cell_length_a 4.29702
_cell_length_b 7.32704
_cell_length_c 6.22796
_cell_angle_alpha 126.04015
_cell_angle_beta 88.10169
_cell_angle_gamma 89.98794
_cell_volume 158.42039
_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
F1 F 0.24407 0.58902 0.17799 1.00000
F2 F 0.75593 0.41098 0.82198 1.00000
F3 F 0.75018 0.87334 0.20288 1.00000
F4 F 0.25940 0.18387 0.36813 1.00000
F5 F 0.24992 0.67032 0.79691 1.00000
F6 F 0.24982 0.12667 0.79711 1.00000
F7 F 0.74061 0.81613 0.63185 1.00000
F8 F 0.75008 0.32968 0.20308 1.00000
Tb1 Tb 0.00000 0.00000 0.99999 1.00000
V1 V 0.26005 0.38032 0.76071 1.00000
V2 V 0.73995 0.61968 0.23927 1.00000
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