Tb4In
Alexandria ALEXAlex-ID: agm005545003 · 空间群: Imma (#74)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4_112_spg74
Tb3In Tb
2023-05-29 00:11:23.273900
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005545003).
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 agm005545003
data_agm005545003
_cell_length_a 5.24564
_cell_length_b 6.79663
_cell_length_c 9.26194
_cell_angle_alpha 111.52560
_cell_angle_beta 106.45025
_cell_angle_gamma 89.99999
_cell_volume 292.60303
_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 0.10446 0.35446 0.20892 1.00000
Tb2 Tb 0.89554 0.64554 0.79108 1.00000
Tb3 Tb 0.50000 0.00000 0.00000 1.00000
Tb4 Tb 0.50000 0.50000 0.00000 1.00000
Tb5 Tb 0.69776 0.19039 0.39553 1.00000
Tb6 Tb 0.30224 0.80961 0.60447 1.00000
Tb7 Tb 0.30224 0.29486 0.60447 1.00000
Tb8 Tb 0.69776 0.70514 0.39553 1.00000
In1 In 0.88892 0.13892 0.77784 1.00000
In2 In 0.11108 0.86108 0.22216 1.00000
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