AcHgBi4
Alexandria ALEXAlex-ID: agm005771203 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_1206_spg12
AcBi3 Bi Hg
2023-07-28 12:02:54.159159
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005771203).
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 agm005771203
data_agm005771203
_cell_length_a 5.53251
_cell_length_b 6.83714
_cell_length_c 6.83654
_cell_angle_alpha 60.02770
_cell_angle_beta 66.13216
_cell_angle_gamma 66.13438
_cell_volume 198.05845
_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
Ac1 Ac 0.00000 0.00000 0.50000 1.00000
Hg1 Hg 0.00000 0.50000 0.00000 1.00000
Bi1 Bi 0.67055 0.56342 0.59548 1.00000
Bi2 Bi 0.67058 0.09468 0.06415 1.00000
Bi3 Bi 0.32942 0.90532 0.93585 1.00000
Bi4 Bi 0.32945 0.43658 0.40452 1.00000
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