InCuPd
Alexandria ALEXAlex-ID: agm005679374 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_9195_spg12
Cu InPd
2023-06-17 06:55:33.938050
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005679374).
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 agm005679374
data_agm005679374
_cell_length_a 3.89346
_cell_length_b 3.89346
_cell_length_c 6.69723
_cell_angle_alpha 84.93861
_cell_angle_beta 95.06139
_cell_angle_gamma 90.24549
_cell_volume 100.73274
_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
In1 In 0.29667 0.70333 0.29931 1.00000
In2 In 0.70333 0.29667 0.70069 1.00000
Cu1 Cu 0.74762 0.74762 1.00000 1.00000
Cu2 Cu 0.25238 0.25238 0.00000 1.00000
Pd1 Pd 0.79927 0.20073 0.30124 1.00000
Pd2 Pd 0.20073 0.79927 0.69876 1.00000
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