NaH2
Alexandria ALEXAlex-ID: agm098488989 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2_9444_spg1
NaH7 NaH
2025-04-29 22:34:16
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm098488989).
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 agm098488989
data_agm098488989
_cell_length_a 6.10222
_cell_length_b 6.48790
_cell_length_c 6.96149
_cell_angle_alpha 114.22854
_cell_angle_beta 111.98999
_cell_angle_gamma 97.25905
_cell_volume 219.89791
_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 0.30239 0.31568 0.45288 1.00000
Na2 Na 0.90055 0.66096 0.49877 1.00000
Na3 Na 0.63971 0.96287 0.04941 1.00000
Na4 Na 0.04946 0.62107 0.02727 1.00000
H1 H 0.97531 0.12337 0.80177 1.00000
H2 H 0.38389 0.40977 0.09398 1.00000
H3 H 0.51984 0.78415 0.45109 1.00000
H4 H 0.42854 0.07749 0.71355 1.00000
H5 H 0.55468 0.85378 0.39272 1.00000
H6 H 0.52835 0.20090 0.78164 1.00000
H7 H 0.94810 0.15457 0.70193 1.00000
H8 H 0.41424 0.48043 0.03499 1.00000
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