LaTh(AlPd2)2
Alexandria ALEXAlex-ID: agm034354129 · 空间群: R-3m (#166)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D4_78_spg166
ThAl3Pd2 ThAlPd2 La3(AlPd)4 ThPd3
2024-07-14 23:01:46.191661
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034354129).
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 agm034354129
data_agm034354129
_cell_length_a 10.13632
_cell_length_b 10.13632
_cell_length_c 10.13632
_cell_angle_alpha 25.16551
_cell_angle_beta 25.16551
_cell_angle_gamma 25.16551
_cell_volume 165.71048
_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
La1 La 0.00000 0.00000 0.00000 1.00000
Th1 Th 0.50000 0.50000 0.50000 1.00000
Al1 Al 0.75061 0.75061 0.75061 1.00000
Al2 Al 0.24939 0.24939 0.24939 1.00000
Pd1 Pd 0.39660 0.39660 0.39660 1.00000
Pd2 Pd 0.89170 0.89170 0.89170 1.00000
Pd3 Pd 0.10830 0.10830 0.10830 1.00000
Pd4 Pd 0.60340 0.60340 0.60340 1.00000
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