Y5(HC)2
Alexandria ALEXAlex-ID: agm007240707 · 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
A2B2C5_263_spg46
YH2 Y2C
2024-05-09 18:12:25.347297
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007240707).
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 agm007240707
data_agm007240707
_cell_length_a 9.02794
_cell_length_b 9.02794
_cell_length_c 6.56328
_cell_angle_alpha 73.77119
_cell_angle_beta 73.77119
_cell_angle_gamma 42.24570
_cell_volume 343.12010
_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 0.63843 0.78886 0.21008 1.00000
Y2 Y 0.21114 0.36157 0.28992 1.00000
Y3 Y 0.78886 0.63843 0.71008 1.00000
Y4 Y 0.36157 0.21114 0.78992 1.00000
Y5 Y 0.94827 0.25268 0.17446 1.00000
Y6 Y 0.05173 0.74732 0.82554 1.00000
Y7 Y 0.25268 0.94827 0.67446 1.00000
Y8 Y 0.74732 0.05173 0.32554 1.00000
Y9 Y 0.71540 0.28460 0.75000 1.00000
Y10 Y 0.28460 0.71540 0.25000 1.00000
H1 H 0.88352 0.45659 0.44229 1.00000
H2 H 0.11648 0.54341 0.55771 1.00000
H3 H 0.45659 0.88352 0.94229 1.00000
H4 H 0.54341 0.11648 0.05771 1.00000
C1 C 0.00000 0.50000 0.00000 1.00000
C2 C 0.50000 0.00000 0.50000 1.00000
C3 C 0.00000 0.00000 0.00000 1.00000
C4 C 0.00000 0.00000 0.50000 1.00000
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