Ag12BiPd6
Alexandria ALEXAlex-ID: agm003685196 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C12_23_spg166
Ag3Pd BiPd3 Ag
2022-04-13 04:08:57.180368
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003685196).
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 agm003685196
data_agm003685196
_cell_length_a 7.61896
_cell_length_b 7.61896
_cell_length_c 7.61896
_cell_angle_alpha 106.84283
_cell_angle_beta 106.84283
_cell_angle_gamma 106.84283
_cell_volume 369.89440
_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
Ag1 Ag 0.88544 0.11456 0.50000 1.00000
Ag2 Ag 0.89534 0.64940 0.64940 1.00000
Ag3 Ag 0.64940 0.64940 0.89534 1.00000
Ag4 Ag 0.35060 0.10466 0.35060 1.00000
Ag5 Ag 0.35060 0.35060 0.10466 1.00000
Ag6 Ag 0.10466 0.35060 0.35060 1.00000
Ag7 Ag 0.11456 0.50000 0.88544 1.00000
Ag8 Ag 0.50000 0.88544 0.11456 1.00000
Ag9 Ag 0.11456 0.88544 0.50000 1.00000
Ag10 Ag 0.88544 0.50000 0.11456 1.00000
Ag11 Ag 0.50000 0.11456 0.88544 1.00000
Ag12 Ag 0.64940 0.89534 0.64940 1.00000
Bi1 Bi 0.00000 0.00000 0.00000 1.00000
Pd1 Pd 0.69631 0.30784 0.30784 1.00000
Pd2 Pd 0.30784 0.30784 0.69631 1.00000
Pd3 Pd 0.30784 0.69631 0.30784 1.00000
Pd4 Pd 0.69216 0.69216 0.30369 1.00000
Pd5 Pd 0.30369 0.69216 0.69216 1.00000
Pd6 Pd 0.69216 0.30369 0.69216 1.00000
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