Na4In4Bi5
Alexandria ALEXAlex-ID: agm005716617 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A4B4C5_24_spg2
Bi In NaBi
2023-07-02 13:37:31.519813
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005716617).
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 agm005716617
data_agm005716617
_cell_length_a 4.87186
_cell_length_b 9.70073
_cell_length_c 9.24093
_cell_angle_alpha 101.78991
_cell_angle_beta 82.92475
_cell_angle_gamma 81.13606
_cell_volume 416.97710
_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 0.73266 0.66438 0.86762 1.00000
Na2 Na 0.72976 0.30664 0.43337 1.00000
Na3 Na 0.26734 0.33562 0.13238 1.00000
Na4 Na 0.27024 0.69336 0.56663 1.00000
In1 In 0.81772 0.31064 0.90368 1.00000
In2 In 0.18228 0.68936 0.09632 1.00000
In3 In 0.83882 0.88447 0.39503 1.00000
In4 In 0.16118 0.11553 0.60497 1.00000
Bi1 Bi 0.59167 0.94394 0.74518 1.00000
Bi2 Bi 0.40833 0.05606 0.25482 1.00000
Bi3 Bi 0.00000 0.00000 0.00000 1.00000
Bi4 Bi 0.68287 0.56816 0.23711 1.00000
Bi5 Bi 0.31713 0.43184 0.76289 1.00000
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