Y22Zn
Alexandria ALEXAlex-ID: agm006236405 · 空间群: Fd-3m (#227)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB22_0_spg227
Y2Zn Y
2023-11-03 13:17:39
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006236405).
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 agm006236405
data_agm006236405
_cell_length_a 12.86319
_cell_length_b 12.86319
_cell_length_c 12.86319
_cell_angle_alpha 60.00000
_cell_angle_beta 60.00000
_cell_angle_gamma 60.00000
_cell_volume 1504.98050
_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
Y1 Y 0.32318 0.55713 0.79651 1.00000
Y2 Y 0.32318 0.29651 0.05713 1.00000
Y3 Y 0.05713 0.82318 0.32318 1.00000
Y4 Y 0.79651 0.82318 0.32318 1.00000
Y5 Y 0.32318 0.55713 0.32318 1.00000
Y6 Y 0.32318 0.29651 0.32318 1.00000
Y7 Y 0.79651 0.82318 0.05713 1.00000
Y8 Y 0.05713 0.82318 0.79651 1.00000
Y9 Y 0.79651 0.55713 0.32318 1.00000
Y10 Y 0.05713 0.29651 0.32318 1.00000
Y11 Y 0.32318 0.82318 0.79651 1.00000
Y12 Y 0.32318 0.82318 0.05713 1.00000
Y13 Y 0.67682 0.70349 0.94287 1.00000
Y14 Y 0.67682 0.44287 0.20349 1.00000
Y15 Y 0.94287 0.17682 0.67682 1.00000
Y16 Y 0.20349 0.17682 0.67682 1.00000
Y17 Y 0.67682 0.17682 0.94287 1.00000
Y18 Y 0.67682 0.17682 0.20349 1.00000
Y19 Y 0.20349 0.44287 0.67682 1.00000
Y20 Y 0.94287 0.70349 0.67682 1.00000
Y21 Y 0.20349 0.17682 0.94287 1.00000
Y22 Y 0.94287 0.17682 0.20349 1.00000
Y23 Y 0.67682 0.70349 0.67682 1.00000
Y24 Y 0.67682 0.44287 0.67682 1.00000
Y25 Y 0.48758 0.26242 0.48758 1.00000
Y26 Y 0.76242 0.98758 0.76242 1.00000
Y27 Y 0.76242 0.26242 0.48758 1.00000
Y28 Y 0.48758 0.98758 0.76242 1.00000
Y29 Y 0.48758 0.26242 0.76242 1.00000
Y30 Y 0.76242 0.98758 0.48758 1.00000
Y31 Y 0.51242 0.01242 0.23758 1.00000
Y32 Y 0.23758 0.73758 0.51242 1.00000
Y33 Y 0.23758 0.01242 0.23758 1.00000
Y34 Y 0.51242 0.73758 0.51242 1.00000
Y35 Y 0.51242 0.73758 0.23758 1.00000
Y36 Y 0.23758 0.01242 0.51242 1.00000
Y37 Y 0.00000 0.00000 0.00000 1.00000
Y38 Y 0.00000 0.50000 0.50000 1.00000
Y39 Y 0.50000 0.50000 0.00000 1.00000
Y40 Y 0.00000 0.50000 0.00000 1.00000
Y41 Y 0.50000 0.50000 0.50000 1.00000
Y42 Y 0.50000 0.00000 0.00000 1.00000
Y43 Y 0.00000 0.00000 0.50000 1.00000
Y44 Y 0.50000 0.00000 0.50000 1.00000
Zn1 Zn 0.12500 0.62500 0.12500 1.00000
Zn2 Zn 0.87500 0.37500 0.87500 1.00000
