Na8HCl4
Alexandria ALEXAlex-ID: agm097428873 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_2149_spg1
NaH Na NaCl
2025-06-16 02:09:44
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097428873).
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
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# CIF generated by HEAS from Alexandria entry agm097428873
data_agm097428873
_cell_length_a 4.10114
_cell_length_b 10.37197
_cell_length_c 10.52283
_cell_angle_alpha 64.35737
_cell_angle_beta 89.59641
_cell_angle_gamma 89.64419
_cell_volume 403.51158
_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 0.19056 0.96276 0.30033 1.00000
Na2 Na 0.19837 0.65659 0.11316 1.00000
Na3 Na 0.18052 0.75150 0.72576 1.00000
Na4 Na 0.19549 0.07914 0.76356 1.00000
Na5 Na 0.69263 0.62469 0.41353 1.00000
Na6 Na 0.69624 0.23505 0.48410 1.00000
Na7 Na 0.69076 0.32131 0.83125 1.00000
Na8 Na 0.69424 0.94217 0.04900 1.00000
H1 H 0.69445 0.17852 0.72225 1.00000
Cl1 Cl 0.18980 0.16688 0.00194 1.00000
Cl2 Cl 0.68407 0.60302 0.68286 1.00000
Cl3 Cl 0.19535 0.44227 0.39279 1.00000
Cl4 Cl 0.19752 0.03611 0.51945 1.00000
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