Be2ZnH7
Alexandria ALEXAlex-ID: agm006201899 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C7_1234_spg1
BeH4 ZnH2 BeH2
2023-10-19 08:06:52
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006201899).
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 agm006201899
data_agm006201899
_cell_length_a 6.11697
_cell_length_b 4.28724
_cell_length_c 3.96783
_cell_angle_alpha 102.21233
_cell_angle_beta 51.40514
_cell_angle_gamma 89.28149
_cell_volume 78.05243
_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
H1 H 0.15443 0.61690 0.96872 1.00000
H2 H 0.80868 0.05808 0.88225 1.00000
H3 H 0.45026 0.62557 0.03421 1.00000
H4 H 0.07156 0.09574 0.10725 1.00000
H5 H 0.57114 0.89146 0.52118 1.00000
H6 H 0.36084 0.13695 0.24819 1.00000
H7 H 0.86709 0.59275 0.78173 1.00000
Zn1 Zn 0.02552 0.31499 0.83979 1.00000
Be1 Be 0.32824 0.87217 0.95100 1.00000
Be2 Be 0.59464 0.85277 0.13384 1.00000
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