Pr(Cd3Ag2)2
Alexandria ALEXAlex-ID: agm003661570 · 空间群: I-42m (#121)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C6_23_spg121
Pr(Cd2Ag)4 Pr(CdAg2)2
2022-04-08 10:08:46.065857
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003661570).
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 agm003661570
data_agm003661570
_cell_length_a 7.27001
_cell_length_b 7.27001
_cell_length_c 7.27001
_cell_angle_alpha 88.38001
_cell_angle_beta 120.93967
_cell_angle_gamma 120.93967
_cell_volume 267.72563
_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 0.00000 0.00000 0.00000 1.00000
Cd1 Cd 0.00000 0.89258 0.52114 1.00000
Cd2 Cd 0.00000 0.52114 0.89258 1.00000
Cd3 Cd 0.62856 0.10742 0.10742 1.00000
Cd4 Cd 0.50000 0.00000 0.50000 1.00000
Cd5 Cd 0.37144 0.47886 0.47886 1.00000
Cd6 Cd 0.50000 0.50000 0.00000 1.00000
Ag1 Ag 0.00000 0.25640 0.59468 1.00000
Ag2 Ag 0.66173 0.40532 0.40532 1.00000
Ag3 Ag 0.00000 0.59468 0.25640 1.00000
Ag4 Ag 0.33827 0.74360 0.74360 1.00000
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