Ba2TbSb2
Alexandria ALEXAlex-ID: agm005963300 · 空间群: Ibam (#72)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C2_30_spg72
Ba3Sb2 Tb5Sb3 TbSb
2023-08-04 07:26:03.770062
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005963300).
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 agm005963300
data_agm005963300
_cell_length_a 7.13451
_cell_length_b 8.34743
_cell_length_c 8.91520
_cell_angle_alpha 117.91475
_cell_angle_beta 113.58642
_cell_angle_gamma 90.00000
_cell_volume 418.30860
_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
Ba1 Ba 0.85365 0.69854 0.70731 1.00000
Ba2 Ba 0.14635 0.30146 0.29269 1.00000
Ba3 Ba 0.64635 0.99123 0.29269 1.00000
Ba4 Ba 0.35365 0.00877 0.70731 1.00000
Tb1 Tb 0.75000 0.50000 0.00000 1.00000
Tb2 Tb 0.25000 0.50000 0.00000 1.00000
Sb1 Sb 0.39059 0.62671 0.78117 1.00000
Sb2 Sb 0.60941 0.37329 0.21883 1.00000
Sb3 Sb 0.10941 0.84554 0.21883 1.00000
Sb4 Sb 0.89059 0.15446 0.78117 1.00000
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