PmCd7Cu5
Alexandria ALEXAlex-ID: agm006065367 · Space group: Imm2 (#44)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C7_7_spg44
Pm2Cd17 PmCd5 Cu
2023-08-07 17:36:19.751855
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006065367).
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 agm006065367
data_agm006065367
_cell_length_a 5.31423
_cell_length_b 7.23703
_cell_length_c 7.23703
_cell_angle_alpha 82.09274
_cell_angle_beta 68.45973
_cell_angle_gamma 68.45974
_cell_volume 240.80959
_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 0.01453 0.98547 0.98547 1.00000
Cd1 Cd 0.66481 0.33519 0.33519 1.00000
Cd2 Cd 0.34677 0.65323 0.65323 1.00000
Cd3 Cd 0.99211 0.35206 0.66372 1.00000
Cd4 Cd 0.99211 0.66372 0.35206 1.00000
Cd5 Cd 0.27916 0.22084 0.22084 1.00000
Cd6 Cd 0.50197 0.79248 0.20358 1.00000
Cd7 Cd 0.50197 0.20358 0.79248 1.00000
Cu1 Cu 0.49582 0.99265 0.51394 1.00000
Cu2 Cu 0.99759 0.99265 0.51394 1.00000
Cu3 Cu 0.49582 0.51394 0.99265 1.00000
Cu4 Cu 0.99759 0.51394 0.99265 1.00000
Cu5 Cu 0.71975 0.78025 0.78025 1.00000
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