ZrBe2ZnH8
Alexandria ALEXAlex-ID: agm007263121 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_0_spg164
BeH2 ZrH2 ZnH2
2025-05-27 06:48:54
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007263121).
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 agm007263121
data_agm007263121
_cell_length_a 4.07618
_cell_length_b 4.90718
_cell_length_c 5.55376
_cell_angle_alpha 90.39487
_cell_angle_beta 90.40626
_cell_angle_gamma 114.28919
_cell_volume 101.24744
_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
Zr1 Zr 0.00000 0.00000 0.00000 1.00000
Be1 Be 0.30773 0.61274 0.13595 1.00000
Be2 Be 0.69227 0.38726 0.86405 1.00000
Zn1 Zn 0.00000 0.00000 0.50000 1.00000
H1 H 0.60525 0.20705 0.08397 1.00000
H2 H 0.15608 0.30941 0.26974 1.00000
H3 H 0.64938 0.77005 0.26904 1.00000
H4 H 0.39475 0.79295 0.91603 1.00000
H5 H 0.35062 0.22995 0.73096 1.00000
H6 H 0.84392 0.69059 0.73026 1.00000
H7 H 0.86619 0.22364 0.72782 1.00000
H8 H 0.13381 0.77636 0.27218 1.00000
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