CsNa2H7
Alexandria ALEXAlex-ID: agm097071702 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_895_spg1
CsH3 CsH10 NaH
2025-05-28 03:33:30
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097071702).
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 agm097071702
data_agm097071702
_cell_length_a 6.19266
_cell_length_b 4.25497
_cell_length_c 7.21876
_cell_angle_alpha 107.08652
_cell_angle_beta 117.01692
_cell_angle_gamma 69.87398
_cell_volume 156.94209
_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
Cs1 Cs 0.88516 0.83912 0.30928 1.00000
Na1 Na 0.60042 0.63069 0.60930 1.00000
Na2 Na 0.31611 0.42600 0.91580 1.00000
H1 H 0.97565 0.45524 0.63473 1.00000
H2 H 0.48497 0.81711 0.86629 1.00000
H3 H 0.42699 0.54773 0.26121 1.00000
H4 H 0.28189 0.24910 0.52454 1.00000
H5 H 0.96578 0.12950 0.96546 1.00000
H6 H 0.34185 0.17742 0.44319 1.00000
H7 H 0.09481 0.10173 0.05328 1.00000
Get direct link