Ce3(ZnAg)4
Alexandria ALEXAlex-ID: agm005695700 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B4C4_1_spg71
Ce3(ZnAg2)2 CeZn2Ag Ce2Zn3Ag4
2023-06-30 00:11:46.694932
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005695700).
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 agm005695700
data_agm005695700
_cell_length_a 4.32819
_cell_length_b 7.55205
_cell_length_c 8.42256
_cell_angle_alpha 116.63614
_cell_angle_beta 104.88861
_cell_angle_gamma 90.00000
_cell_volume 235.70250
_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 0.12173 0.12173 0.24346 1.00000
Ce2 Ce 0.87827 0.87827 0.75654 1.00000
Ce3 Ce 0.00000 0.50000 0.00000 1.00000
Zn1 Zn 0.22300 0.72300 0.44599 1.00000
Zn2 Zn 0.77700 0.27700 0.55401 1.00000
Zn3 Zn 0.50000 0.81910 1.00000 1.00000
Zn4 Zn 0.50000 0.18090 0.00000 1.00000
Ag1 Ag 0.32745 0.13487 0.65490 1.00000
Ag2 Ag 0.67255 0.47998 0.34510 1.00000
Ag3 Ag 0.67255 0.86513 0.34510 1.00000
Ag4 Ag 0.32745 0.52002 0.65490 1.00000
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