Tb4PrH2
Alexandria ALEXAlex-ID: agm096000594 · 空间群: Pm (#6)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C4_171_spg82
Tb5Pr3 Tb5Pr TbH2
2025-04-10 19:23:58
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm096000594).
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}
}
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# CIF generated by HEAS from Alexandria entry agm096000594
data_agm096000594
_cell_length_a 3.61271
_cell_length_b 5.62203
_cell_length_c 8.92592
_cell_angle_alpha 73.00581
_cell_angle_beta 89.99503
_cell_angle_gamma 90.00301
_cell_volume 173.37597
_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 0.78564 0.59257 0.24379 1.00000
Tb2 Tb 0.78552 0.81789 0.79552 1.00000
Tb3 Tb 0.28544 0.98777 0.41716 1.00000
Tb4 Tb 0.28530 0.39822 0.62409 1.00000
Pr1 Pr 0.28623 0.17176 0.01840 1.00000
H1 H 0.78629 0.91574 0.02201 1.00000
H2 H 0.28558 0.61605 0.37904 1.00000
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