CdGaPd
Alexandria ALEXAlex-ID: agm005694642 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_7763_spg12
GaPd Cd
2023-06-17 09:41:29.636541
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005694642).
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 agm005694642
data_agm005694642
_cell_length_a 3.43414
_cell_length_b 4.79744
_cell_length_c 7.77884
_cell_angle_alpha 64.88443
_cell_angle_beta 77.24772
_cell_angle_gamma 69.02786
_cell_volume 107.99358
_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
Cd1 Cd 0.84431 0.21269 0.09869 1.00000
Cd2 Cd 0.15569 0.78731 0.90131 1.00000
Ga1 Ga 0.37347 0.84088 0.41219 1.00000
Ga2 Ga 0.62653 0.15912 0.58781 1.00000
Pd1 Pd 0.89772 0.51679 0.68776 1.00000
Pd2 Pd 0.10228 0.48321 0.31224 1.00000
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