Al2VCdH8
Alexandria ALEXAlex-ID: agm007169607 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D8_4_spg155
AlH3 VH2 Cd
2024-01-28 09:47:28.030717
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007169607).
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 agm007169607
data_agm007169607
_cell_length_a 4.50916
_cell_length_b 4.95411
_cell_length_c 7.63490
_cell_angle_alpha 70.91305
_cell_angle_beta 71.15229
_cell_angle_gamma 56.81987
_cell_volume 132.64168
_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
Al1 Al 0.27466 0.20815 0.31019 1.00000
Al2 Al 0.72534 0.79185 0.68981 1.00000
V1 V 0.50000 0.50000 0.50000 1.00000
Cd1 Cd 0.00000 0.00000 0.00000 1.00000
H1 H 0.18176 0.35704 0.10184 1.00000
H2 H 0.57411 0.80473 0.31403 1.00000
H3 H 0.81824 0.64296 0.89816 1.00000
H4 H 0.97089 0.25701 0.51458 1.00000
H5 H 0.02911 0.74299 0.48542 1.00000
H6 H 0.42735 0.68791 0.68724 1.00000
H7 H 0.57265 0.31209 0.31276 1.00000
H8 H 0.42589 0.19527 0.68597 1.00000
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