U3(GePd)4
Alexandria ALEXAlex-ID: agm008908696 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C4_53_spg71
UGePd UGe3 GePd2
2024-05-11 08:50:12.383715
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008908696).
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
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# CIF generated by HEAS from Alexandria entry agm008908696
data_agm008908696
_cell_length_a 8.06303
_cell_length_b 8.06303
_cell_length_c 8.06303
_cell_angle_alpha 149.06707
_cell_angle_beta 128.91157
_cell_angle_gamma 60.92921
_cell_volume 207.82618
_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
U1 U 0.87997 0.87997 0.00000 1.00000
U2 U 0.12003 0.12003 0.00000 1.00000
U3 U 0.50000 0.00000 0.50000 1.00000
Ge1 Ge 0.28703 0.78703 0.50000 1.00000
Ge2 Ge 0.71297 0.21297 0.50000 1.00000
Ge3 Ge 0.19703 0.50000 0.69703 1.00000
Ge4 Ge 0.80297 0.50000 0.30297 1.00000
Pd1 Pd 0.87937 0.67685 0.20252 1.00000
Pd2 Pd 0.52567 0.32315 0.20252 1.00000
Pd3 Pd 0.12063 0.32315 0.79748 1.00000
Pd4 Pd 0.47433 0.67685 0.79748 1.00000
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