Be3Zn5
Alexandria ALEXAlex-ID: agm005520331 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B5_228_spg15
Zn Be
2023-07-09 21:25:10
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005520331).
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
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm005520331
data_agm005520331
_cell_length_a 6.94506
_cell_length_b 6.60705
_cell_length_c 6.97384
_cell_angle_alpha 98.71378
_cell_angle_beta 98.91889
_cell_angle_gamma 137.59307
_cell_volume 195.47285
_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
Be1 Be 0.70289 0.75034 0.95236 1.00000
Be2 Be 0.29628 0.24961 0.04765 1.00000
Be3 Be 0.42046 0.25635 0.41545 1.00000
Be4 Be 0.57864 0.74366 0.58457 1.00000
Be5 Be 0.34350 0.75770 0.83404 1.00000
Be6 Be 0.65574 0.24233 0.16592 1.00000
Zn1 Zn 0.21152 0.75041 0.46166 1.00000
Zn2 Zn 0.78761 0.24959 0.53836 1.00000
Zn3 Zn 0.89764 0.22513 0.91040 1.00000
Zn4 Zn 0.10160 0.77494 0.08960 1.00000
Zn5 Zn 0.81399 0.72495 0.32735 1.00000
Zn6 Zn 0.18515 0.27504 0.67264 1.00000
Zn7 Zn 0.52723 0.24306 0.81571 1.00000
Zn8 Zn 0.47193 0.75696 0.18430 1.00000
Zn9 Zn 0.07134 0.25746 0.28490 1.00000
Zn10 Zn 0.92779 0.74256 0.71510 1.00000
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