NaHf(BeH4)2
Alexandria ALEXAlex-ID: agm007442215 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_238_spg1
NaBeH3 Hf4H15 HfH2 BeH2
2025-05-27 06:53:53
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007442215).
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
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm007442215
data_agm007442215
_cell_length_a 4.08057
_cell_length_b 4.63145
_cell_length_c 7.27883
_cell_angle_alpha 61.35087
_cell_angle_beta 123.11075
_cell_angle_gamma 115.94333
_cell_volume 98.19091
_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
Na1 Na 0.00000 0.00000 0.50000 1.00000
Hf1 Hf 0.00000 0.00000 0.00000 1.00000
Be1 Be 0.45575 0.56283 0.17881 1.00000
Be2 Be 0.54425 0.43717 0.82119 1.00000
H1 H 0.66245 0.20732 0.05861 1.00000
H2 H 0.35557 0.18975 0.26529 1.00000
H3 H 0.88052 0.67668 0.27640 1.00000
H4 H 0.33755 0.79268 0.94139 1.00000
H5 H 0.11948 0.32332 0.72360 1.00000
H6 H 0.64443 0.81025 0.73471 1.00000
H7 H 0.65919 0.32025 0.72199 1.00000
H8 H 0.34081 0.67975 0.27801 1.00000
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