Zr2Bi7
Alexandria ALEXAlex-ID: agm007808056 · Space group: Fmmm (#69)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B7_153_spg69
ZrBi2 Bi
2024-03-08 22:37:37.294014
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007808056).
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 agm007808056
data_agm007808056
_cell_length_a 11.38786
_cell_length_b 8.16503
_cell_length_c 8.47718
_cell_angle_alpha 86.33579
_cell_angle_beta 45.68658
_cell_angle_gamma 47.97763
_cell_volume 272.53404
_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
Zr1 Zr 0.35784 0.35784 0.64216 1.00000
Zr2 Zr 0.64216 0.64216 0.35784 1.00000
Bi1 Bi 0.00000 0.00000 0.00000 1.00000
Bi2 Bi 0.68431 0.96446 0.03554 1.00000
Bi3 Bi 0.03554 0.31569 0.68431 1.00000
Bi4 Bi 0.34131 0.65869 0.34131 1.00000
Bi5 Bi 0.96446 0.68431 0.31569 1.00000
Bi6 Bi 0.31569 0.03554 0.96446 1.00000
Bi7 Bi 0.65869 0.34131 0.65869 1.00000
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