BaZnGe2Au
Alexandria ALEXAlex-ID: agm005016560 · 空间群: I-4m2 (#119)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABCD2_49_spg119
BaGe3Au Ba(ZnGe)2 BaZn9Au4 Ba2Ge3Au
2022-07-05 06:40:11.813989
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005016560).
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}
}
晶体结构 3D 渲染
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# CIF generated by HEAS from Alexandria entry agm005016560
data_agm005016560
_cell_length_a 4.58069
_cell_length_b 4.58069
_cell_length_c 6.34461
_cell_angle_alpha 111.16105
_cell_angle_beta 111.16105
_cell_angle_gamma 90.00000
_cell_volume 114.47176
_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
Ba1 Ba 0.00000 0.00000 0.00000 1.00000
Zn1 Zn 0.25000 0.75000 0.50000 1.00000
Ge1 Ge 0.62191 0.62191 0.24383 1.00000
Ge2 Ge 0.37809 0.37809 0.75617 1.00000
Au1 Au 0.75000 0.25000 0.50000 1.00000
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