Tb2H5
Alexandria ALEXAlex-ID: agm006244702 · 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
A2B5_27_spg72
TbH3 TbH2
2024-05-14 00:13:49.600371
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006244702).
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 agm006244702
data_agm006244702
_cell_length_a 6.47250
_cell_length_b 6.47250
_cell_length_c 6.47250
_cell_angle_alpha 135.91112
_cell_angle_beta 130.57027
_cell_angle_gamma 68.36814
_cell_volume 140.79804
_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 0.64528 0.88030 0.76498 1.00000
Tb2 Tb 0.35472 0.11970 0.23502 1.00000
Tb3 Tb 0.11532 0.38030 0.73502 1.00000
Tb4 Tb 0.88468 0.61970 0.26498 1.00000
H1 H 0.24987 0.58437 0.66550 1.00000
H2 H 0.75013 0.41563 0.33450 1.00000
H3 H 0.91886 0.08437 0.83450 1.00000
H4 H 0.08114 0.91563 0.16550 1.00000
H5 H 0.74404 0.99404 0.25000 1.00000
H6 H 0.25596 0.50596 0.25000 1.00000
H7 H 0.25596 0.00596 0.75000 1.00000
H8 H 0.74404 0.49404 0.75000 1.00000
H9 H 0.50000 0.25000 0.75000 1.00000
H10 H 0.50000 0.75000 0.25000 1.00000
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