Be2Zn2H5
Alexandria ALEXAlex-ID: agm007339448 · Space group: Pm (#6)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_484_spg38
ZnH2 Zn BeH2
2024-02-08 18:22:02
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007339448).
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 agm007339448
data_agm007339448
_cell_length_a 2.36765
_cell_length_b 4.44280
_cell_length_c 8.29482
_cell_angle_alpha 77.13821
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 85.06409
_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
Be1 Be 0.00000 0.00525 0.96409 1.00000
Be2 Be 0.00000 0.72618 0.48883 1.00000
Zn1 Zn 0.50000 0.84578 0.72087 1.00000
Zn2 Zn 0.50000 0.14641 0.29410 1.00000
H1 H 0.50000 0.16828 0.83164 1.00000
H2 H 0.50000 0.98140 0.09131 1.00000
H3 H 0.50000 0.51363 0.48089 1.00000
H4 H 0.00000 0.70263 0.92166 1.00000
H5 H 0.00000 0.41045 0.20660 1.00000
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