TbSiPd
Alexandria ALEXAlex-ID: agm070154742 · 空间群: Imm2 (#44)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC_63_spg74
TbSiPd
2025-03-02 03:24:02
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm070154742).
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 agm070154742
data_agm070154742
_cell_length_a 5.57306
_cell_length_b 5.57306
_cell_length_c 5.57306
_cell_angle_alpha 133.95304
_cell_angle_beta 101.85130
_cell_angle_gamma 95.77136
_cell_volume 114.46597
_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 0.10698 0.60698 0.50000 1.00000
Tb2 Tb 0.68694 0.68694 0.00000 1.00000
Si1 Si 0.67097 0.98283 0.68815 1.00000
Si2 Si 0.29468 0.98283 0.31185 1.00000
Pd1 Pd 0.10053 0.31471 0.78582 1.00000
Pd2 Pd 0.52889 0.31471 0.21418 1.00000
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