TbH6Au
Alexandria ALEXAlex-ID: agm076150328 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC6_97_spg5
Tb14Au51 H6Au TbH3
2025-06-26 23:21:32
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm076150328).
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 agm076150328
data_agm076150328
_cell_length_a 3.56076
_cell_length_b 4.71448
_cell_length_c 5.59105
_cell_angle_alpha 119.26386
_cell_angle_beta 91.78934
_cell_angle_gamma 86.06828
_cell_volume 81.68652
_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 0.72440 0.68413 0.79307 1.00000
H1 H 0.87250 0.23512 0.00473 1.00000
H2 H 0.23491 0.70918 0.05945 1.00000
H3 H 0.72007 0.75948 0.43026 1.00000
H4 H 0.19419 0.38476 0.46619 1.00000
H5 H 0.66218 0.27811 0.04866 1.00000
H6 H 0.20761 0.91786 0.76495 1.00000
Au1 Au 0.38415 0.03136 0.43271 1.00000
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