Pm3Cd2Cu
Alexandria ALEXAlex-ID: agm005709844 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_906_spg65
PmCd PmCu
2023-08-29 15:31:21.600068
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005709844).
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 agm005709844
data_agm005709844
_cell_length_a 5.24740
_cell_length_b 8.31110
_cell_length_c 7.64549
_cell_angle_alpha 90.00123
_cell_angle_beta 90.00390
_cell_angle_gamma 71.59779
_cell_volume 316.38230
_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 0.82794 0.34452 0.76936 1.00000
Pm2 Pm 0.49925 0.00000 0.23983 1.00000
Pm3 Pm 0.17206 0.65548 0.23064 1.00000
Pm4 Pm 0.82754 0.34452 0.23064 1.00000
Pm5 Pm 0.17246 0.65548 0.76936 1.00000
Pm6 Pm 0.50075 1.00000 0.76017 1.00000
Cd1 Cd 0.00000 0.00000 0.00000 1.00000
Cd2 Cd 0.00000 0.00000 0.50000 1.00000
Cd3 Cd 0.33437 0.33126 0.50000 1.00000
Cd4 Cd 0.66563 0.66874 0.50000 1.00000
Cu1 Cu 0.34263 0.31475 1.00000 1.00000
Cu2 Cu 0.65737 0.68525 0.00000 1.00000
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