Na4H8O
Alexandria ALEXAlex-ID: agm097699372 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_238_spg12
NaH7 NaHO NaH
2025-06-21 20:39:50
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097699372).
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 agm097699372
data_agm097699372
_cell_length_a 3.31481
_cell_length_b 6.26574
_cell_length_c 9.64092
_cell_angle_alpha 111.95780
_cell_angle_beta 110.73155
_cell_angle_gamma 73.59164
_cell_volume 171.06784
_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 0.04801 0.97573 0.16363 1.00000
Na2 Na 0.95739 0.03283 0.58447 1.00000
Na3 Na 0.88078 0.61585 0.81447 1.00000
Na4 Na 0.14134 0.44084 0.47647 1.00000
H1 H 0.65383 0.16582 0.35181 1.00000
H2 H 0.49265 0.30681 0.92833 1.00000
H3 H 0.53828 0.65742 0.29538 1.00000
H4 H 0.31956 0.97485 0.93452 1.00000
H5 H 0.45411 0.32024 0.00448 1.00000
H6 H 0.42731 0.31736 0.69134 1.00000
H7 H 0.59117 0.61425 0.21808 1.00000
H8 H 0.57286 0.73576 0.56193 1.00000
O1 O 0.42269 0.84225 0.97510 1.00000
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