GePPd4
Alexandria ALEXAlex-ID: agm003733397 · Space group: I4_1/amd (#141)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_1485_spg70
P3Pd7 Ge2PPd6 P2Pd
2022-04-22 00:48:07.587121
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003733397).
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 agm003733397
data_agm003733397
_cell_length_a 5.71473
_cell_length_b 5.71069
_cell_length_c 7.23081
_cell_angle_alpha 113.46377
_cell_angle_beta 113.48107
_cell_angle_gamma 89.52391
_cell_volume 195.34482
_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
Ge1 Ge 0.37503 0.62503 0.25005 1.00000
Ge2 Ge 0.62497 0.37497 0.74995 1.00000
P1 P 0.12503 0.87503 0.75006 1.00000
P2 P 0.87497 0.12497 0.24994 1.00000
Pd1 Pd 0.00044 0.24289 0.00132 1.00000
Pd2 Pd 0.50088 0.75843 0.00132 1.00000
Pd3 Pd 0.24147 0.49902 0.49859 1.00000
Pd4 Pd 0.75853 0.50098 0.50141 1.00000
Pd5 Pd 0.24288 0.00042 0.50141 1.00000
Pd6 Pd 0.49912 0.24157 0.99868 1.00000
Pd7 Pd 0.75712 0.99958 0.49859 1.00000
Pd8 Pd 0.99956 0.75711 0.99868 1.00000
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