Sr2Cd6AgAu
Alexandria ALEXAlex-ID: agm004938510 · 空间群: Fm-3m (#225)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D6_1_spg225
SrCd3Ag2 SrCd2Au Sr3Cd11 SrCd9Ag2
2023-01-15 16:00:15.936412
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004938510).
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 agm004938510
data_agm004938510
_cell_length_a 7.51432
_cell_length_b 7.51432
_cell_length_c 7.51433
_cell_angle_alpha 59.99995
_cell_angle_beta 59.99994
_cell_angle_gamma 89.99984
_cell_volume 300.02330
_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
Sr1 Sr 0.25000 0.75000 0.50000 1.00000
Sr2 Sr 0.75000 0.25000 0.50000 1.00000
Cd1 Cd 0.25072 0.74928 0.00000 1.00000
Cd2 Cd 0.74927 0.74927 1.00000 1.00000
Cd3 Cd 0.25072 0.25072 0.49856 1.00000
Cd4 Cd 0.74928 0.25072 1.00000 1.00000
Cd5 Cd 0.25073 0.25073 0.00000 1.00000
Cd6 Cd 0.74928 0.74928 0.50144 1.00000
Ag1 Ag 0.50000 0.50000 0.00000 1.00000
Au1 Au 0.00000 0.00000 0.00000 1.00000
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