HgBi3Pd
Alexandria ALEXAlex-ID: agm005809482 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_8380_spg12
Bi2Pd Hg Bi
2023-07-05 10:14:02.558735
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005809482).
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
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# CIF generated by HEAS from Alexandria entry agm005809482
data_agm005809482
_cell_length_a 5.71413
_cell_length_b 5.71413
_cell_length_c 11.41975
_cell_angle_alpha 106.09944
_cell_angle_beta 106.09942
_cell_angle_gamma 117.67634
_cell_volume 278.78802
_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
Hg1 Hg 0.81606 0.31606 0.56854 1.00000
Hg2 Hg 0.18394 0.68394 0.43146 1.00000
Bi1 Bi 0.15313 0.65313 0.90664 1.00000
Bi2 Bi 0.84687 0.34687 0.09336 1.00000
Bi3 Bi 0.34598 0.18249 0.25591 1.00000
Bi4 Bi 0.31751 0.15402 0.74409 1.00000
Bi5 Bi 0.65402 0.81751 0.74409 1.00000
Bi6 Bi 0.68249 0.84598 0.25591 1.00000
Pd1 Pd 0.74989 0.75011 1.00000 1.00000
Pd2 Pd 0.25011 0.24989 0.00000 1.00000
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