Na3ZnBi3
Alexandria ALEXAlex-ID: agm003545234 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C3_301_spg12
Zn NaBi
2022-04-03 03:41:23.903806
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003545234).
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 agm003545234
data_agm003545234
_cell_length_a 8.53774
_cell_length_b 8.53774
_cell_length_c 7.72045
_cell_angle_alpha 104.63460
_cell_angle_beta 104.63460
_cell_angle_gamma 118.80496
_cell_volume 428.09459
_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 0.57064 0.57064 0.33556 1.00000
Na2 Na 0.11919 0.88081 0.50000 1.00000
Na3 Na 0.88081 0.11919 0.50000 1.00000
Na4 Na 0.31552 0.68448 0.00000 1.00000
Na5 Na 0.68448 0.31552 0.00000 1.00000
Na6 Na 0.42936 0.42936 0.66444 1.00000
Zn1 Zn 0.86557 0.86557 0.78511 1.00000
Zn2 Zn 0.13443 0.13443 0.21489 1.00000
Bi1 Bi 0.77518 0.77518 0.08686 1.00000
Bi2 Bi 0.88455 0.52241 0.64327 1.00000
Bi3 Bi 0.52241 0.88455 0.64327 1.00000
Bi4 Bi 0.11545 0.47759 0.35673 1.00000
Bi5 Bi 0.47759 0.11545 0.35673 1.00000
Bi6 Bi 0.22482 0.22482 0.91314 1.00000
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