Ce(CdAg2)4
Alexandria ALEXAlex-ID: agm003671863 · 空间群: I4/mmm (#139)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C8_2_spg139
Ce(CdAg2)2 CdAg3 CdAg
2022-04-20 20:33:25.408068
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003671863).
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 agm003671863
data_agm003671863
_cell_length_a 5.65229
_cell_length_b 7.45278
_cell_length_c 7.45278
_cell_angle_alpha 81.73232
_cell_angle_beta 67.71543
_cell_angle_gamma 67.71543
_cell_volume 268.80460
_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
Ce1 Ce 0.00000 0.00000 0.00000 1.00000
Cd1 Cd 0.00000 0.00000 0.50000 1.00000
Cd2 Cd 0.50000 0.00000 0.50000 1.00000
Cd3 Cd 0.00000 0.50000 0.00000 1.00000
Cd4 Cd 0.50000 0.50000 0.00000 1.00000
Ag1 Ag 1.00000 0.35138 0.64862 1.00000
Ag2 Ag 0.00000 0.64862 0.35138 1.00000
Ag3 Ag 0.35138 0.64862 0.64862 1.00000
Ag4 Ag 0.64862 0.35138 0.35138 1.00000
Ag5 Ag 0.50000 0.78757 0.21243 1.00000
Ag6 Ag 0.50000 0.21243 0.78757 1.00000
Ag7 Ag 0.28757 0.21243 0.21243 1.00000
Ag8 Ag 0.71243 0.78757 0.78757 1.00000
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