Cu2GeAs4
Alexandria ALEXAlex-ID: agm096794622 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C4_166_spg139
Cu GeAs2 As
2025-04-10 16:59:12
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm096794622).
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 agm096794622
data_agm096794622
_cell_length_a 4.23981
_cell_length_b 4.54721
_cell_length_c 7.12875
_cell_angle_alpha 87.80243
_cell_angle_beta 90.29486
_cell_angle_gamma 92.61718
_cell_volume 137.19197
_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
Cu1 Cu 0.86879 0.01105 0.01152 1.00000
Cu2 Cu 0.36752 0.02451 0.48632 1.00000
Ge1 Ge 0.22908 0.45461 0.98255 1.00000
As1 As 0.62186 0.29654 0.74014 1.00000
As2 As 0.86937 0.23860 0.31925 1.00000
As3 As 0.98506 0.77036 0.71917 1.00000
As4 As 0.55832 0.70434 0.24105 1.00000
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