Ga3Bi5Pd
Alexandria ALEXAlex-ID: agm072548720 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C5_1199_spg12
Ga5Pd Ga7Pd3 Bi
2024-09-24 11:13:21.900322
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072548720).
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 agm072548720
data_agm072548720
_cell_length_a 4.40399
_cell_length_b 6.71877
_cell_length_c 9.00543
_cell_angle_alpha 79.44109
_cell_angle_beta 82.57986
_cell_angle_gamma 108.11750
_cell_volume 243.97594
_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
Ga1 Ga 0.06142 0.49383 0.43451 1.00000
Ga2 Ga 0.52530 0.84386 0.46197 1.00000
Ga3 Ga 0.13812 0.11217 0.43940 1.00000
Bi1 Bi 0.81591 0.65784 0.71995 1.00000
Bi2 Bi 0.49496 0.09969 0.72728 1.00000
Bi3 Bi 0.32253 0.95895 0.14114 1.00000
Bi4 Bi 0.11286 0.36845 0.95324 1.00000
Bi5 Bi 0.67048 0.53004 0.18619 1.00000
Pd1 Pd 0.85842 0.93519 0.93632 1.00000
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