K2Na2H5
Alexandria ALEXAlex-ID: agm007136702 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_1_spg46
KH7 NaH KH
2024-01-27 19:46:09.586495
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007136702).
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 agm007136702
data_agm007136702
_cell_length_a 9.56931
_cell_length_b 9.56931
_cell_length_c 9.56931
_cell_angle_alpha 141.19980
_cell_angle_beta 141.82420
_cell_angle_gamma 55.56619
_cell_volume 336.84509
_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
K1 K 0.38205 0.86878 0.48673 1.00000
K2 K 0.61795 0.13122 0.51327 1.00000
K3 K 0.88205 0.39532 0.51327 1.00000
K4 K 0.11795 0.60468 0.48673 1.00000
Na1 Na 0.00000 0.00000 0.00000 1.00000
Na2 Na 0.50000 0.50000 0.00000 1.00000
Na3 Na 0.75000 0.72067 0.97067 1.00000
Na4 Na 0.25000 0.27933 0.02933 1.00000
H1 H 0.76605 0.26605 0.00000 1.00000
H2 H 0.73395 0.73395 0.50000 1.00000
H3 H 0.26605 0.26605 0.50000 1.00000
H4 H 0.23395 0.73395 0.00000 1.00000
H5 H 0.86794 0.96243 0.09448 1.00000
H6 H 0.13206 0.03757 0.90552 1.00000
H7 H 0.36794 0.27346 0.90552 1.00000
H8 H 0.63206 0.72654 0.09448 1.00000
H9 H 0.00000 0.50000 0.00000 1.00000
H10 H 0.50000 0.50000 0.50000 1.00000
Get direct link