YHI2
Alexandria ALEXAlex-ID: agm071048024 · 空间群: P4_332 (#212)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2_11072_spg212
YHI2
2024-08-06 22:29:45.041750
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm071048024).
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 agm071048024
data_agm071048024
_cell_length_a 13.40423
_cell_length_b 13.40423
_cell_length_c 13.40423
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 2408.38417
_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 0.62500 0.50008 0.74992 1.00000
Y2 Y 0.87500 0.49992 0.24992 1.00000
Y3 Y 0.37500 0.00008 0.75008 1.00000
Y4 Y 0.12500 0.99992 0.25008 1.00000
Y5 Y 0.74992 0.62500 0.50008 1.00000
Y6 Y 0.24992 0.87500 0.49992 1.00000
Y7 Y 0.75008 0.37500 0.00008 1.00000
Y8 Y 0.25008 0.12500 0.99992 1.00000
Y9 Y 0.50008 0.74992 0.62500 1.00000
Y10 Y 0.49992 0.24992 0.87500 1.00000
Y11 Y 0.00008 0.75008 0.37500 1.00000
Y12 Y 0.99992 0.25008 0.12500 1.00000
H1 H 0.62500 0.70187 0.54813 1.00000
H2 H 0.87500 0.29813 0.04813 1.00000
H3 H 0.37500 0.20187 0.95187 1.00000
H4 H 0.12500 0.79813 0.45187 1.00000
H5 H 0.54813 0.62500 0.70187 1.00000
H6 H 0.04813 0.87500 0.29813 1.00000
H7 H 0.95187 0.37500 0.20187 1.00000
H8 H 0.45187 0.12500 0.79813 1.00000
H9 H 0.70187 0.54813 0.62500 1.00000
H10 H 0.29813 0.04813 0.87500 1.00000
H11 H 0.20187 0.95187 0.37500 1.00000
H12 H 0.79813 0.45187 0.12500 1.00000
I1 I 0.04568 0.16489 0.91283 1.00000
I2 I 0.45432 0.83511 0.41283 1.00000
I3 I 0.95432 0.66489 0.58717 1.00000
I4 I 0.54568 0.33511 0.08717 1.00000
I5 I 0.91283 0.04568 0.16489 1.00000
I6 I 0.41283 0.45432 0.83511 1.00000
I7 I 0.58717 0.95432 0.66489 1.00000
I8 I 0.08717 0.54568 0.33511 1.00000
I9 I 0.16489 0.91283 0.04568 1.00000
I10 I 0.83511 0.41283 0.45432 1.00000
I11 I 0.66489 0.58717 0.95432 1.00000
I12 I 0.33511 0.08717 0.54568 1.00000
I13 I 0.41489 0.79568 0.83717 1.00000
I14 I 0.08511 0.20432 0.33717 1.00000
I15 I 0.91489 0.70432 0.16283 1.00000
I16 I 0.58511 0.29568 0.66283 1.00000
I17 I 0.29568 0.66283 0.58511 1.00000
I18 I 0.70432 0.16283 0.91489 1.00000
I19 I 0.20432 0.33717 0.08511 1.00000
I20 I 0.79568 0.83717 0.41489 1.00000
I21 I 0.16283 0.91489 0.70432 1.00000
I22 I 0.66283 0.58511 0.29568 1.00000
I23 I 0.83717 0.41489 0.79568 1.00000
I24 I 0.33717 0.08511 0.20432 1.00000
