Tb4PmAl3
Alexandria ALEXAlex-ID: agm003550982 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C4_353_spg71
Tb2Al Pm TbAl
2022-03-21 10:18:26.168076
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003550982).
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 agm003550982
data_agm003550982
_cell_length_a 3.40033
_cell_length_b 8.56100
_cell_length_c 8.77579
_cell_angle_alpha 119.18650
_cell_angle_beta 101.17076
_cell_angle_gamma 90.00000
_cell_volume 217.46987
_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 0.35958 0.55510 0.71916 1.00000
Tb2 Tb 0.64042 0.44490 0.28084 1.00000
Tb3 Tb 0.64032 0.83565 0.28064 1.00000
Tb4 Tb 0.35968 0.16435 0.71936 1.00000
Pm1 Pm 0.50000 0.00000 0.00000 1.00000
Al1 Al 0.00000 0.50000 0.00000 1.00000
Al2 Al 0.18420 0.18405 0.36839 1.00000
Al3 Al 0.81580 0.81595 0.63161 1.00000
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