TbH3Au
Alexandria ALEXAlex-ID: agm007417153 · 空间群: P2_1/m (#11)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC3_91_spg63
Tb14Au51 H6Au TbH3
2024-02-09 05:21:18
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007417153).
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 agm007417153
data_agm007417153
_cell_length_a 5.46143
_cell_length_b 3.57900
_cell_length_c 6.25126
_cell_angle_alpha 77.57105
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 119.32617
_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 0.25000 0.68104 0.18393 1.00000
Tb2 Tb 0.75000 0.31896 0.81607 1.00000
H1 H 0.99750 0.20775 0.11153 1.00000
H2 H 0.00250 0.79225 0.88847 1.00000
H3 H 0.50250 0.20775 0.11153 1.00000
H4 H 0.49750 0.79225 0.88847 1.00000
H5 H 0.25000 0.11688 0.40146 1.00000
H6 H 0.75000 0.88312 0.59854 1.00000
Au1 Au 0.25000 0.01159 0.68054 1.00000
Au2 Au 0.75000 0.98841 0.31946 1.00000
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