Pa2Co3Pd
Alexandria ALEXAlex-ID: agm035029232 · 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
AB2C3_2032_spg146
PaCo2 Pa3Co5 PaPd3
2025-04-13 18:18:47
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm035029232).
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 agm035029232
data_agm035029232
_cell_length_a 5.07905
_cell_length_b 5.07905
_cell_length_c 5.07905
_cell_angle_alpha 60.52934
_cell_angle_beta 60.52934
_cell_angle_gamma 60.52934
_cell_volume 93.75546
_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
Pa1 Pa 0.37860 0.37860 0.37860 1.00000
Pa2 Pa 0.62140 0.62140 0.62140 1.00000
Co1 Co 0.50000 0.00000 0.00000 1.00000
Co2 Co 0.00000 0.00000 0.50000 1.00000
Co3 Co 0.00000 0.50000 0.00000 1.00000
Pd1 Pd 0.00000 0.00000 0.00000 1.00000
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