Sr2(PmS2)3
Alexandria ALEXAlex-ID: agm005603206 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C6_239_spg12
Pm5S6 Pm2S3 SrS
2023-06-13 00:01:23.574980
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005603206).
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 agm005603206
data_agm005603206
_cell_length_a 7.09933
_cell_length_b 7.09072
_cell_length_c 7.32124
_cell_angle_alpha 80.76951
_cell_angle_beta 71.31146
_cell_angle_gamma 59.95982
_cell_volume 302.21975
_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
Sr1 Sr 0.16762 0.66475 0.50000 1.00000
Sr2 Sr 0.83238 0.33525 0.50000 1.00000
Pm1 Pm 0.00000 0.00000 0.00000 1.00000
Pm2 Pm 0.33658 0.32685 1.00000 1.00000
Pm3 Pm 0.66342 0.67315 0.00000 1.00000
S1 S 0.40899 0.66017 0.77173 1.00000
S2 S 0.74990 0.00000 0.76762 1.00000
S3 S 0.06916 0.33983 0.77173 1.00000
S4 S 0.25010 1.00000 0.23238 1.00000
S5 S 0.59101 0.33983 0.22827 1.00000
S6 S 0.93084 0.66017 0.22827 1.00000
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