Pm6CuS5
Alexandria ALEXAlex-ID: agm006123768 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_83_spg12
Pm6CuS5
2023-09-09 08:03:12.713596
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006123768).
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 agm006123768
data_agm006123768
_cell_length_a 7.02001
_cell_length_b 7.02001
_cell_length_c 7.01197
_cell_angle_alpha 99.61752
_cell_angle_beta 99.61752
_cell_angle_gamma 119.99787
_cell_volume 282.06515
_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
S1 S 0.83261 0.16739 0.50000 1.00000
S2 S 0.66575 0.33425 0.00000 1.00000
S3 S 0.50000 0.50000 0.50000 1.00000
S4 S 0.33425 0.66575 1.00000 1.00000
S5 S 0.16739 0.83261 0.50000 1.00000
Cu1 Cu 0.00000 0.00000 0.00000 1.00000
Pm1 Pm 0.42023 0.08281 0.25120 1.00000
Pm2 Pm 0.91719 0.57977 0.74880 1.00000
Pm3 Pm 0.25224 0.25224 0.74816 1.00000
Pm4 Pm 0.74776 0.74776 0.25184 1.00000
Pm5 Pm 0.08281 0.42023 0.25120 1.00000
Pm6 Pm 0.57977 0.91719 0.74880 1.00000
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