Zn8GaCu2
Alexandria ALEXAlex-ID: agm003519062 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C8_279_spg12
Zn15Cu Zn2Ga7 Zn3Cu
2022-03-15 01:56:03.914177
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003519062).
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 agm003519062
data_agm003519062
_cell_length_a 4.70487
_cell_length_b 6.81572
_cell_length_c 6.77860
_cell_angle_alpha 59.81869
_cell_angle_beta 77.67669
_cell_angle_gamma 64.87903
_cell_volume 170.12966
_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
Zn1 Zn 0.84729 0.09617 0.23126 1.00000
Zn2 Zn 0.84729 0.32743 0.76874 1.00000
Zn3 Zn 0.29193 0.41749 1.00000 1.00000
Zn4 Zn 0.50000 0.77562 0.44875 1.00000
Zn5 Zn 0.50000 0.22438 0.55125 1.00000
Zn6 Zn 0.70807 0.58251 0.00000 1.00000
Zn7 Zn 0.15271 0.67257 0.23126 1.00000
Zn8 Zn 0.15271 0.90383 0.76874 1.00000
Ga1 Ga 0.50000 0.00000 0.00000 1.00000
Cu1 Cu 1.00000 0.30186 0.39628 1.00000
Cu2 Cu 0.00000 0.69814 0.60372 1.00000
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