Ho2Al2H7
Alexandria ALEXAlex-ID: agm006367659 · 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
A2B2C7_1871_spg12
AlH3 HoH3 Al
2025-04-29 17:54:52
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006367659).
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
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# CIF generated by HEAS from Alexandria entry agm006367659
data_agm006367659
_cell_length_a 3.47632
_cell_length_b 5.27555
_cell_length_c 6.20944
_cell_angle_alpha 90.63803
_cell_angle_beta 106.20808
_cell_angle_gamma 90.10531
_cell_volume 109.34377
_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
Ho1 Ho 0.65711 0.27930 0.81600 1.00000
Ho2 Ho 0.34289 0.72070 0.18400 1.00000
Al1 Al 0.05554 0.78461 0.61191 1.00000
Al2 Al 0.94446 0.21539 0.38809 1.00000
H1 H 0.18148 0.97025 0.86306 1.00000
H2 H 0.72635 0.65368 0.95274 1.00000
H3 H 0.81852 0.02975 0.13694 1.00000
H4 H 0.27365 0.34632 0.04726 1.00000
H5 H 0.50000 0.50000 0.50000 1.00000
H6 H 0.90855 0.54497 0.31676 1.00000
H7 H 0.09145 0.45503 0.68324 1.00000
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