BeZn2H7
Alexandria ALEXAlex-ID: agm006201902 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_1594_spg1
BeH4 ZnH2 BeH2
2023-10-20 01:01:11
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006201902).
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}
}
3D Crystal Structure Rendering
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# CIF generated by HEAS from Alexandria entry agm006201902
data_agm006201902
_cell_length_a 5.77466
_cell_length_b 4.41560
_cell_length_c 5.16650
_cell_angle_alpha 107.08779
_cell_angle_beta 75.46232
_cell_angle_gamma 129.68768
_cell_volume 96.54205
_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 0.71932 0.70692 0.49193 1.00000
H2 H 0.83605 0.85411 0.39956 1.00000
H3 H 0.38323 0.43640 0.07510 1.00000
H4 H 0.96675 0.93380 0.85307 1.00000
H5 H 0.47873 0.09568 0.56351 1.00000
H6 H 0.90796 0.32872 0.24106 1.00000
H7 H 0.05215 0.44147 0.77663 1.00000
Zn1 Zn 0.26469 0.93908 0.84999 1.00000
Zn2 Zn 0.52712 0.97823 0.21972 1.00000
Be1 Be 0.09639 0.34298 0.99758 1.00000
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