Pm6Cu2Pd
Alexandria ALEXAlex-ID: agm003502467 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_730_spg71
Pm3Pd PmCu Pm
2022-02-24 10:01:56.627410
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003502467).
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 agm003502467
data_agm003502467
_cell_length_a 8.57592
_cell_length_b 8.57592
_cell_length_c 8.57592
_cell_angle_alpha 108.69904
_cell_angle_beta 109.86923
_cell_angle_gamma 109.84814
_cell_volume 485.46822
_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
Pm1 Pm 0.56049 0.73491 0.82558 1.00000
Pm2 Pm 0.43951 0.26509 0.17442 1.00000
Pm3 Pm 0.09067 0.26509 0.82558 1.00000
Pm4 Pm 0.90933 0.73491 0.17442 1.00000
Pm5 Pm 0.81618 0.74474 0.56091 1.00000
Pm6 Pm 0.18382 0.25526 0.43909 1.00000
Pm7 Pm 0.18382 0.74474 0.92856 1.00000
Pm8 Pm 0.81618 0.25526 0.07144 1.00000
Pm9 Pm 0.69634 0.37035 0.67401 1.00000
Pm10 Pm 0.30366 0.62965 0.32599 1.00000
Pm11 Pm 0.30366 0.97767 0.67401 1.00000
Pm12 Pm 0.69634 0.02233 0.32599 1.00000
Cu1 Cu 0.50000 0.38093 0.88093 1.00000
Cu2 Cu 0.50000 0.61907 0.11907 1.00000
Cu3 Cu 0.64778 0.00000 0.64778 1.00000
Cu4 Cu 0.35222 0.00000 0.35222 1.00000
Pd1 Pd 0.00000 0.50000 0.50000 1.00000
Pd2 Pd 0.00000 0.00000 0.00000 1.00000
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