U3(CoPd)4
Alexandria ALEXAlex-ID: agm009646973 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C4_614_spg2
UCo3 UPd3 UCo
2024-03-25 03:07:11.889554
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009646973).
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 agm009646973
data_agm009646973
_cell_length_a 4.09385
_cell_length_b 6.60988
_cell_length_c 7.07976
_cell_angle_alpha 80.08054
_cell_angle_beta 88.92270
_cell_angle_gamma 102.81480
_cell_volume 183.68866
_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 0.27082 0.83886 0.35438 1.00000
U2 U 0.72918 0.16114 0.64562 1.00000
U3 U 0.00000 0.50000 0.00000 1.00000
Co1 Co 0.14157 0.44240 0.65753 1.00000
Co2 Co 0.70931 0.09823 0.24935 1.00000
Co3 Co 0.85843 0.55760 0.34247 1.00000
Co4 Co 0.29069 0.90177 0.75065 1.00000
Pd1 Pd 0.28212 0.31458 0.33542 1.00000
Pd2 Pd 0.71788 0.68542 0.66458 1.00000
Pd3 Pd 0.70779 0.82245 0.02259 1.00000
Pd4 Pd 0.29221 0.17755 0.97741 1.00000
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