Pr2Al3Cu
Alexandria ALEXAlex-ID: agm005636166 · 空间群: Cm (#8)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_228_spg8
PrAlCu PrAl2
2023-08-07 03:20:33.679733
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005636166).
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 agm005636166
data_agm005636166
_cell_length_a 4.60951
_cell_length_b 5.80433
_cell_length_c 5.90879
_cell_angle_alpha 80.85910
_cell_angle_beta 67.04208
_cell_angle_gamma 66.60456
_cell_volume 133.59901
_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
Pr1 Pr 0.54404 0.20310 0.70883 1.00000
Pr2 Pr 0.44990 0.79704 0.30316 1.00000
Al1 Al 0.84885 0.59933 0.70297 1.00000
Al2 Al 0.82901 0.23206 0.10993 1.00000
Al3 Al 0.16120 0.77202 0.90558 1.00000
Cu1 Cu 0.16700 0.39645 0.26954 1.00000
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