TbBr3
Alexandria ALEXAlex-ID: agm002201535 · 空间群: R-3 (#148)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3_32_spg2
TbBr3
2018-07-01 09:17:01
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002201535).
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 agm002201535
data_agm002201535
_cell_length_a 7.29398
_cell_length_b 7.29315
_cell_length_c 8.21203
_cell_angle_alpha 63.52740
_cell_angle_beta 63.55021
_cell_angle_gamma 60.00322
_cell_volume 324.40980
_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
Tb1 Tb 0.16671 0.16663 0.49996 1.00000
Tb2 Tb 0.83329 0.83337 0.50004 1.00000
Br1 Br 0.94417 0.57715 0.26959 1.00000
Br2 Br 0.42306 0.78987 0.73028 1.00000
Br3 Br 0.79010 0.05577 0.73034 1.00000
Br4 Br 0.05583 0.42285 0.73041 1.00000
Br5 Br 0.20990 0.94423 0.26966 1.00000
Br6 Br 0.57694 0.21013 0.26972 1.00000
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