Ba(SrBi)4
Alexandria ALEXAlex-ID: agm003594871 · Space group: P4_2/n (#86)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C4_177_spg86
Sr5Bi4 Ba2Sr3Bi4
2022-04-06 01:00:05.791419
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003594871).
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 agm003594871
data_agm003594871
_cell_length_a 6.79789
_cell_length_b 11.07032
_cell_length_c 11.07032
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 833.09574
_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
Ba1 Ba 0.00000 0.00000 0.00000 1.00000
Ba2 Ba 0.50000 0.50000 0.50000 1.00000
Sr1 Sr 0.42385 0.33891 0.89314 1.00000
Sr2 Sr 0.92385 0.60686 0.83891 1.00000
Sr3 Sr 0.42385 0.66109 0.10686 1.00000
Sr4 Sr 0.07615 0.16109 0.60686 1.00000
Sr5 Sr 0.57615 0.89314 0.66109 1.00000
Sr6 Sr 0.07615 0.83891 0.39314 1.00000
Sr7 Sr 0.92385 0.39314 0.16109 1.00000
Sr8 Sr 0.57615 0.10686 0.33891 1.00000
Bi1 Bi 0.57755 0.79494 0.36710 1.00000
Bi2 Bi 0.57755 0.20506 0.63290 1.00000
Bi3 Bi 0.07755 0.86710 0.70506 1.00000
Bi4 Bi 0.92245 0.29494 0.86710 1.00000
Bi5 Bi 0.92245 0.70506 0.13290 1.00000
Bi6 Bi 0.42245 0.36710 0.20506 1.00000
Bi7 Bi 0.42245 0.63290 0.79494 1.00000
Bi8 Bi 0.07755 0.13290 0.29494 1.00000
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