Pm4SnSe2
Alexandria ALEXAlex-ID: agm003453074 · Space group: I4_1/amd (#141)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_1125_spg15
Pm5Sn3Se Pm PmSe
2022-03-01 03:50:59.796559
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003453074).
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 agm003453074
data_agm003453074
_cell_length_a 8.17234
_cell_length_b 8.17236
_cell_length_c 8.18365
_cell_angle_alpha 108.67854
_cell_angle_beta 108.69690
_cell_angle_gamma 110.99773
_cell_volume 420.78309
_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 0.93061 0.24687 0.31704 1.00000
Pm2 Pm 0.31939 0.50315 0.18294 1.00000
Pm3 Pm 0.92981 0.61356 0.68295 1.00000
Pm4 Pm 0.75150 0.06817 0.68230 1.00000
Pm5 Pm 0.38588 0.06921 0.31770 1.00000
Pm6 Pm 0.32021 0.13646 0.81706 1.00000
Pm7 Pm 0.49847 0.68182 0.81771 1.00000
Pm8 Pm 0.86410 0.68075 0.18229 1.00000
Sn1 Sn 0.24909 0.74908 0.50000 1.00000
Sn2 Sn 0.00093 0.00094 1.00000 1.00000
Se1 Se 0.62500 0.37500 0.74999 1.00000
Se2 Se 0.62501 0.87501 0.25001 1.00000
Se3 Se 0.62499 0.37500 0.25001 1.00000
Se4 Se 0.12498 0.37498 0.74999 1.00000
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