Ce5PmAu6
Alexandria ALEXAlex-ID: agm006106954 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_53_spg71
PmAu CeAu
2023-08-23 09:35:38.967414
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006106954).
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 agm006106954
data_agm006106954
_cell_length_a 5.20521
_cell_length_b 7.45858
_cell_length_c 9.00705
_cell_angle_alpha 65.54267
_cell_angle_beta 73.20638
_cell_angle_gamma 89.99892
_cell_volume 301.84890
_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
Au1 Au 0.83565 0.59530 0.33236 1.00000
Au2 Au 0.83566 0.07233 0.33231 1.00000
Au3 Au 0.49995 0.77031 0.00006 1.00000
Au4 Au 0.50005 0.22969 0.99994 1.00000
Au5 Au 0.16434 0.92767 0.66769 1.00000
Au6 Au 0.16435 0.40470 0.66764 1.00000
Ce1 Ce 0.67363 0.17507 0.64979 1.00000
Ce2 Ce 0.34380 0.34242 0.31512 1.00000
Ce3 Ce 0.00000 0.50000 0.00000 1.00000
Ce4 Ce 0.65620 0.65758 0.68488 1.00000
Ce5 Ce 0.32637 0.82493 0.35021 1.00000
Pm1 Pm 0.00000 0.00000 0.00000 1.00000
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