Al(ZnH3)2
Alexandria ALEXAlex-ID: agm007663703 · 空间群: C2 (#5)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C6_1575_spg146
ZnH2 Zn AlH3
2024-08-14 03:17:10.828713
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007663703).
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}
}
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# CIF generated by HEAS from Alexandria entry agm007663703
data_agm007663703
_cell_length_a 5.25045
_cell_length_b 5.25045
_cell_length_c 4.29196
_cell_angle_alpha 81.51540
_cell_angle_beta 81.51540
_cell_angle_gamma 118.68430
_cell_volume 99.35705
_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 0.81562 0.18438 0.50000 1.00000
Zn1 Zn 0.06351 0.93649 0.00000 1.00000
Zn2 Zn 0.22957 0.77043 0.50000 1.00000
H1 H 0.80151 0.88950 0.78081 1.00000
H2 H 0.58014 0.94411 0.27908 1.00000
H3 H 0.90662 0.56255 0.25828 1.00000
H4 H 0.11050 0.19849 0.21919 1.00000
H5 H 0.05589 0.41986 0.72092 1.00000
H6 H 0.43745 0.09338 0.74172 1.00000
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