Tb2SmH7
Alexandria ALEXAlex-ID: agm006209352 · 空间群: I4mm (#107)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C7_967_spg107
TbH3 TbSm3H8 Tb3SmH8
2024-02-01 12:47:52
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006209352).
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 agm006209352
data_agm006209352
_cell_length_a 5.24221
_cell_length_b 3.69779
_cell_length_c 9.83915
_cell_angle_alpha 124.26134
_cell_angle_beta 74.50184
_cell_angle_gamma 135.19237
_cell_volume 108.18852
_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
H1 H 0.17766 0.02142 0.35425 1.00000
H2 H 0.75964 0.85110 0.51956 1.00000
H3 H 0.41924 0.49008 0.83894 1.00000
H4 H 0.08947 0.17177 0.18009 1.00000
H5 H 0.25975 0.85173 0.51974 1.00000
H6 H 0.59008 0.17290 0.18034 1.00000
H7 H 0.91922 0.48951 0.83874 1.00000
Tb1 Tb 0.33726 0.66125 0.67438 1.00000
Tb2 Tb 0.67396 0.00962 0.34898 1.00000
Sm1 Sm 0.00612 0.33801 0.01315 1.00000
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