Pm2UCuS5
Alexandria ALEXAlex-ID: agm005157953 · Space group: Cmc2_1 (#36)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D5_217_spg36
Pm2US5 Cu
2023-01-19 13:53:18.591115
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005157953).
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 agm005157953
data_agm005157953
_cell_length_a 3.85456
_cell_length_b 8.45531
_cell_length_c 12.01110
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 103.17568
_cell_volume 381.15517
_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 0.88346 0.76692 0.84625 1.00000
Pm2 Pm 0.11473 0.22947 0.69260 1.00000
Pm3 Pm 0.11654 0.23308 0.34625 1.00000
Pm4 Pm 0.88527 0.77053 0.19260 1.00000
U1 U 0.81976 0.63952 0.52757 1.00000
U2 U 0.18024 0.36048 0.02757 1.00000
Cu1 Cu 0.54877 0.09753 0.92065 1.00000
Cu2 Cu 0.45123 0.90247 0.42065 1.00000
S1 S 0.34562 0.69124 0.02032 1.00000
S2 S 0.68504 0.37007 0.86269 1.00000
S3 S 0.49221 0.98442 0.74973 1.00000
S4 S 0.30033 0.60066 0.68913 1.00000
S5 S 0.98227 0.96455 0.51502 1.00000
S6 S 0.65438 0.30876 0.52032 1.00000
S7 S 0.31496 0.62993 0.36269 1.00000
S8 S 0.50779 0.01558 0.24973 1.00000
S9 S 0.69967 0.39934 0.18913 1.00000
S10 S 0.01773 0.03545 0.01502 1.00000
Get direct link