CaBi5Pd6
Alexandria ALEXAlex-ID: agm003678027 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_69_spg12
CaBiPd2 BiPd
2022-04-09 19:37:10.576006
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003678027).
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 agm003678027
data_agm003678027
_cell_length_a 8.17758
_cell_length_b 5.70587
_cell_length_c 7.34212
_cell_angle_alpha 67.13438
_cell_angle_beta 78.83248
_cell_angle_gamma 60.10335
_cell_volume 273.65769
_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
Ca1 Ca 0.00000 0.00000 0.00000 1.00000
Bi1 Bi 0.50000 0.14278 0.71445 1.00000
Bi2 Bi 0.00000 0.31604 0.36791 1.00000
Bi3 Bi 0.50000 0.50000 0.00000 1.00000
Bi4 Bi 1.00000 0.68396 0.63209 1.00000
Bi5 Bi 0.50000 0.85722 0.28555 1.00000
Pd1 Pd 0.70742 0.18481 0.35696 1.00000
Pd2 Pd 0.29258 0.45823 0.35696 1.00000
Pd3 Pd 0.19917 0.38818 0.00000 1.00000
Pd4 Pd 0.80083 0.61182 1.00000 1.00000
Pd5 Pd 0.70742 0.54177 0.64304 1.00000
Pd6 Pd 0.29258 0.81519 0.64304 1.00000
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