AlZn(GeAs2)2
Alexandria ALEXAlex-ID: agm004872011 · 空间群: Fmm2 (#42)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D4_36_spg42
ZnGeAs2 AlAs GeAs
2022-07-12 10:45:59.463207
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004872011).
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 agm004872011
data_agm004872011
_cell_length_a 5.90014
_cell_length_b 5.90014
_cell_length_c 6.88925
_cell_angle_alpha 113.85850
_cell_angle_beta 113.85850
_cell_angle_gamma 93.17728
_cell_volume 193.58943
_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
Al1 Al 0.50176 0.50176 0.00351 1.00000
Zn1 Zn 0.00130 0.00130 0.00260 1.00000
Ge1 Ge 0.75505 0.25505 0.51010 1.00000
Ge2 Ge 0.25505 0.75505 0.51010 1.00000
As1 As 0.62424 0.62424 0.74827 1.00000
As2 As 0.36949 0.86937 0.23886 1.00000
As3 As 0.86937 0.36949 0.23886 1.00000
As4 As 0.12404 0.12404 0.74827 1.00000
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