Na2SiNiH8
Alexandria ALEXAlex-ID: agm007432901 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_2729_spg1
Na2NiH6 SiNi SiH20 NaH
2025-05-28 23:06:41
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007432901).
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 agm007432901
data_agm007432901
_cell_length_a 4.30849
_cell_length_b 5.46327
_cell_length_c 6.13716
_cell_angle_alpha 67.58218
_cell_angle_beta 88.72770
_cell_angle_gamma 74.55565
_cell_volume 128.20847
_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 0.56596 0.28917 0.20295 1.00000
Na2 Na 0.22579 0.66648 0.60887 1.00000
Si1 Si 0.61971 0.01055 0.81757 1.00000
Ni1 Ni 0.21450 0.01863 0.03902 1.00000
H1 H 0.65579 0.82265 0.67711 1.00000
H2 H 0.99141 0.88948 0.91028 1.00000
H3 H 0.43175 0.73334 0.18130 1.00000
H4 H 0.07200 0.02430 0.27121 1.00000
H5 H 0.07779 0.33256 0.92536 1.00000
H6 H 0.63161 0.26490 0.59855 1.00000
H7 H 0.00468 0.40877 0.43621 1.00000
H8 H 0.00903 0.53917 0.33158 1.00000
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