Ca2CeAg4
Alexandria ALEXAlex-ID: agm014929403 · 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
AB2C4_169_spg71
CeAg2 CaAg
2025-06-09 00:04:26
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm014929403).
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 agm014929403
data_agm014929403
_cell_length_a 10.50856
_cell_length_b 10.50856
_cell_length_c 10.50856
_cell_angle_alpha 159.38368
_cell_angle_beta 153.75352
_cell_angle_gamma 33.60642
_cell_volume 180.53704
_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
Ca1 Ca 0.80978 0.80978 0.00000 1.00000
Ca2 Ca 0.19022 0.19022 0.00000 1.00000
Ce1 Ce 0.50000 0.00000 0.50000 1.00000
Ag1 Ag 0.64459 0.64459 0.00000 1.00000
Ag2 Ag 0.35541 0.35541 0.00000 1.00000
Ag3 Ag 0.06801 0.56801 0.50000 1.00000
Ag4 Ag 0.93199 0.43199 0.50000 1.00000
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