NaBiH
Alexandria ALEXAlex-ID: agm005653278 · Space group: P4/nmm (#129)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_169_spg11
NaBiH4 NaBi
2023-06-19 09:38:04.351331
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005653278).
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 agm005653278
data_agm005653278
_cell_length_a 4.17385
_cell_length_b 4.17191
_cell_length_c 7.36251
_cell_angle_alpha 90.00124
_cell_angle_beta 90.00154
_cell_angle_gamma 89.99585
_cell_volume 128.20267
_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 0.37258 0.11023 0.84704 1.00000
Na2 Na 0.87261 0.61023 0.04037 1.00000
Bi1 Bi 0.37270 0.11029 0.34820 1.00000
Bi2 Bi 0.87271 0.61030 0.53910 1.00000
H1 H 0.87254 0.11028 0.94356 1.00000
H2 H 0.37255 0.61029 0.94378 1.00000
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