Ba2Hg4Bi5
Alexandria ALEXAlex-ID: agm003365151 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C5_150_spg71
Ba(HgBi)2 Bi
2022-02-04 23:30:12.371754
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003365151).
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 agm003365151
data_agm003365151
_cell_length_a 7.05730
_cell_length_b 8.13664
_cell_length_c 8.13598
_cell_angle_alpha 80.20500
_cell_angle_beta 64.29681
_cell_angle_gamma 64.29904
_cell_volume 379.22406
_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 0.26538 0.73465 0.73459 1.00000
Ba2 Ba 0.73462 0.26535 0.26541 1.00000
Hg1 Hg 0.27699 0.07924 0.36678 1.00000
Hg2 Hg 0.72301 0.92076 0.63322 1.00000
Hg3 Hg 0.72304 0.63311 0.92082 1.00000
Hg4 Hg 0.27696 0.36689 0.07918 1.00000
Bi1 Bi 0.23223 0.22707 0.77292 1.00000
Bi2 Bi 0.76777 0.77293 0.22708 1.00000
Bi3 Bi 0.00000 0.50000 0.50000 1.00000
Bi4 Bi 0.76778 0.22707 0.77292 1.00000
Bi5 Bi 0.23222 0.77293 0.22708 1.00000
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