Sr2LiZn6Cu
Alexandria ALEXAlex-ID: agm004929862 · 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
SrZn2 SrZnCu2 SrLiZn4 SrZn3Cu2
2022-07-26 13:53:22.265305
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004929862).
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 agm004929862
data_agm004929862
_cell_length_a 6.75267
_cell_length_b 6.75318
_cell_length_c 6.71237
_cell_angle_alpha 60.10223
_cell_angle_beta 60.10544
_cell_angle_gamma 90.13245
_cell_volume 216.87211
_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 0.75014 0.25006 0.49980 1.00000
Sr2 Sr 0.24987 0.74994 0.50019 1.00000
Li1 Li 1.00000 1.00000 0.00000 1.00000
Zn1 Zn 0.24844 0.24845 0.50320 1.00000
Zn2 Zn 0.75102 0.75123 0.00042 1.00000
Zn3 Zn 0.24882 0.75143 0.00001 1.00000
Zn4 Zn 0.75118 0.24857 1.00000 1.00000
Zn5 Zn 0.24898 0.24877 0.99959 1.00000
Zn6 Zn 0.75156 0.75155 0.49680 1.00000
Cu1 Cu 0.50000 0.50000 0.00000 1.00000
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