Y8ScH4
Alexandria ALEXAlex-ID: agm098074017 · 空间群: Cm (#8)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C8_776_spg1
Y Sc YH2
2025-06-16 00:02:10
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm098074017).
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 agm098074017
data_agm098074017
_cell_length_a 3.60794
_cell_length_b 9.59742
_cell_length_c 9.57978
_cell_angle_alpha 115.38195
_cell_angle_beta 100.81128
_cell_angle_gamma 90.00185
_cell_volume 293.16595
_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 0.14721 0.95757 0.29472 1.00000
Y2 Y 0.99861 0.27141 0.99762 1.00000
Y3 Y 0.33608 0.29303 0.67115 1.00000
Y4 Y 0.29626 0.61977 0.59298 1.00000
Y5 Y 0.66566 0.29218 0.33013 1.00000
Y6 Y 0.62928 0.62044 0.25877 1.00000
Y7 Y 0.96473 0.63016 0.92882 1.00000
Y8 Y 0.81919 0.96655 0.63710 1.00000
Sc1 Sc 0.48406 0.95794 0.96871 1.00000
H1 H 0.06537 0.10519 0.13444 1.00000
H2 H 0.09048 0.69721 0.18118 1.00000
H3 H 0.72524 0.54967 0.45027 1.00000
H4 H 0.27783 0.03888 0.55410 1.00000
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