Cd2GePd3
Alexandria ALEXAlex-ID: agm005705545 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_906_spg65
GePd CdPd
2023-08-29 15:39:34.183934
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005705545).
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 agm005705545
data_agm005705545
_cell_length_a 4.42254
_cell_length_b 7.03332
_cell_length_c 6.85855
_cell_angle_alpha 90.00011
_cell_angle_beta 90.00047
_cell_angle_gamma 71.94299
_cell_volume 202.82927
_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 0.00000 0.00000 0.00000 1.00000
Cd2 Cd 0.00000 0.00000 0.50000 1.00000
Cd3 Cd 0.33305 0.33248 0.50000 1.00000
Cd4 Cd 0.66695 0.66753 0.50000 1.00000
Ge1 Ge 0.34244 0.31369 0.00000 1.00000
Ge2 Ge 0.65756 0.68631 1.00000 1.00000
Pd1 Pd 0.82145 0.35603 0.78606 1.00000
Pd2 Pd 0.50000 1.00000 0.23882 1.00000
Pd3 Pd 0.17855 0.64397 0.21394 1.00000
Pd4 Pd 0.82144 0.35603 0.21394 1.00000
Pd5 Pd 0.17856 0.64397 0.78606 1.00000
Pd6 Pd 0.50000 0.00000 0.76118 1.00000
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