Be15Zn4
Alexandria ALEXAlex-ID: agm073023232 · 空间群: I-43d (#220)
基础信息
组成
能量与稳定性
电子结构
其他信息
A4B15_2_spg220
Zn Be
2024-10-20 11:18:59
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm073023232).
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 agm073023232
data_agm073023232
_cell_length_a 7.77236
_cell_length_b 7.77236
_cell_length_c 7.77236
_cell_angle_alpha 109.47122
_cell_angle_beta 109.47122
_cell_angle_gamma 109.47122
_cell_volume 361.44028
_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 0.86478 0.93194 0.72568 1.00000
Be2 Be 0.25000 0.12500 0.87500 1.00000
Be3 Be 0.56806 0.43283 0.79373 1.00000
Be4 Be 0.43283 0.79373 0.56806 1.00000
Be5 Be 0.13910 0.77432 0.70627 1.00000
Be6 Be 0.56717 0.86090 0.13522 1.00000
Be7 Be 0.63522 0.36090 0.06717 1.00000
Be8 Be 0.29373 0.93283 0.06806 1.00000
Be9 Be 0.86090 0.13522 0.56717 1.00000
Be10 Be 0.36090 0.06717 0.63522 1.00000
Be11 Be 0.72568 0.86478 0.93194 1.00000
Be12 Be 0.36478 0.22568 0.43194 1.00000
Be13 Be 0.12500 0.87500 0.25000 1.00000
Be14 Be 0.93194 0.72568 0.86478 1.00000
Be15 Be 0.37500 0.62500 0.75000 1.00000
Be16 Be 0.20627 0.27432 0.63910 1.00000
Be17 Be 0.27432 0.63910 0.20627 1.00000
Be18 Be 0.63910 0.20627 0.27432 1.00000
Be19 Be 0.43194 0.36478 0.22568 1.00000
Be20 Be 0.87500 0.25000 0.12500 1.00000
Be21 Be 0.77432 0.70627 0.13910 1.00000
Be22 Be 0.70627 0.13910 0.77432 1.00000
Be23 Be 0.06806 0.29373 0.93283 1.00000
Be24 Be 0.06717 0.63522 0.36090 1.00000
Be25 Be 0.22568 0.43194 0.36478 1.00000
Be26 Be 0.79373 0.56806 0.43283 1.00000
Be27 Be 0.13522 0.56717 0.86090 1.00000
Be28 Be 0.75000 0.37500 0.62500 1.00000
Be29 Be 0.93283 0.06806 0.29373 1.00000
Be30 Be 0.62500 0.75000 0.37500 1.00000
Zn1 Zn 0.59051 0.59051 0.59051 1.00000
Zn2 Zn 0.90949 0.50000 0.00000 1.00000
Zn3 Zn 0.09051 0.09051 0.09051 1.00000
Zn4 Zn 0.00000 0.40949 0.50000 1.00000
Zn5 Zn 0.00000 0.90949 0.50000 1.00000
Zn6 Zn 0.40949 0.50000 0.00000 1.00000
Zn7 Zn 0.50000 0.00000 0.40949 1.00000
Zn8 Zn 0.50000 0.00000 0.90949 1.00000
