Pm5SmS6
Alexandria ALEXAlex-ID: agm034227902 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_264_spg12
Pm4SmS5 PmS
2025-03-09 08:10:58
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034227902).
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 agm034227902
data_agm034227902
_cell_length_a 9.00395
_cell_length_b 9.00395
_cell_length_c 8.06059
_cell_angle_alpha 77.05994
_cell_angle_beta 102.94006
_cell_angle_gamma 154.13595
_cell_volume 277.44665
_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 0.50000 0.50000 0.00000 1.00000
Pm2 Pm 0.83302 0.16698 0.66680 1.00000
Pm3 Pm 0.16698 0.83302 0.33320 1.00000
Pm4 Pm 0.83323 0.16677 0.16650 1.00000
Pm5 Pm 0.16677 0.83323 0.83350 1.00000
Sm1 Sm 0.50000 0.50000 0.50000 1.00000
S1 S 0.33401 0.66599 0.41717 1.00000
S2 S 0.66662 0.33338 0.08319 1.00000
S3 S 0.66599 0.33401 0.58283 1.00000
S4 S 0.99984 0.00016 0.74838 1.00000
S5 S 0.00016 0.99984 0.25162 1.00000
S6 S 0.33338 0.66662 0.91681 1.00000
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