Pm6ScS8
Alexandria ALEXAlex-ID: agm005997448 · Space group: Fm-3m (#225)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C8_4_spg225
Pm5S6 Sc5S6 PmS
2023-08-31 15:40:10.562270
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005997448).
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 agm005997448
data_agm005997448
_cell_length_a 8.00446
_cell_length_b 8.00446
_cell_length_c 8.00446
_cell_angle_alpha 60.00000
_cell_angle_beta 60.00000
_cell_angle_gamma 60.00000
_cell_volume 362.64449
_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 0.00000 0.50000 0.50000 1.00000
Pm2 Pm 0.50000 0.00000 0.00000 1.00000
Pm3 Pm 0.50000 0.50000 0.00000 1.00000
Pm4 Pm 0.00000 0.00000 0.50000 1.00000
Pm5 Pm 0.00000 0.50000 0.00000 1.00000
Pm6 Pm 0.50000 0.00000 0.50000 1.00000
Sc1 Sc 0.00000 0.00000 0.00000 1.00000
S1 S 0.75000 0.75000 0.75000 1.00000
S2 S 0.25000 0.25000 0.25000 1.00000
S3 S 0.76333 0.23667 0.23667 1.00000
S4 S 0.23667 0.76333 0.76333 1.00000
S5 S 0.23667 0.23667 0.76333 1.00000
S6 S 0.76333 0.76333 0.23667 1.00000
S7 S 0.76333 0.23667 0.76333 1.00000
S8 S 0.23667 0.76333 0.23667 1.00000
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