NaHOs2
Alexandria ALEXAlex-ID: agm002837101 · Space group: I4_1/amd (#141)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_49_spg227
Na4H6Os Na Os
2016-12-29 04:29:23
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002837101).
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 agm002837101
data_agm002837101
_cell_length_a 5.45925
_cell_length_b 5.45925
_cell_length_c 5.56840
_cell_angle_alpha 60.64638
_cell_angle_beta 60.64638
_cell_angle_gamma 90.00000
_cell_volume 119.60560
_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 0.00000 1.00000
Na2 Na 0.75000 0.25000 0.50000 1.00000
Os1 Os 0.37524 0.12500 0.25000 1.00000
Os2 Os 0.37476 0.62500 0.25000 1.00000
Os3 Os 0.37500 0.62476 0.75000 1.00000
Os4 Os 0.87500 0.62524 0.75000 1.00000
H1 H 0.50000 0.50000 0.00000 1.00000
H2 H 0.25000 0.75000 0.50000 1.00000
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