Na(H4O3)2
Alexandria ALEXAlex-ID: agm072852874 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C8_947_spg2
NaH9O5 H2O NaO4
2024-10-06 10:28:16.315121
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072852874).
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 agm072852874
data_agm072852874
_cell_length_a 4.62826
_cell_length_b 5.89841
_cell_length_c 7.05391
_cell_angle_alpha 109.72281
_cell_angle_beta 102.20554
_cell_angle_gamma 90.14249
_cell_volume 176.60176
_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 0.00010 0.00008 0.99995 1.00000
H1 H 0.04258 0.74514 0.51127 1.00000
H2 H 0.95754 0.25476 0.48875 1.00000
H3 H 0.86103 0.40313 0.70457 1.00000
H4 H 0.22756 0.97275 0.38156 1.00000
H5 H 0.42358 0.21063 0.41896 1.00000
H6 H 0.13885 0.59691 0.29539 1.00000
H7 H 0.77257 0.02727 0.61847 1.00000
H8 H 0.57655 0.78924 0.58108 1.00000
O1 O 0.20984 0.72214 0.43950 1.00000
O2 O 0.03203 0.42761 0.05619 1.00000
O3 O 0.77599 0.87503 0.65376 1.00000
O4 O 0.79026 0.27775 0.56051 1.00000
O5 O 0.96747 0.57263 0.94379 1.00000
O6 O 0.22411 0.12495 0.34623 1.00000
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