Pm6SnSe4
Alexandria ALEXAlex-ID: agm006074029 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C6_36_spg63
Pm5Sn3Se Pm PmSe
2023-10-08 12:52:24
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006074029).
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 agm006074029
data_agm006074029
_cell_length_a 4.26998
_cell_length_b 7.16635
_cell_length_c 21.22331
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 107.33264
_cell_volume 619.94626
_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 0.00000 0.00000 1.00000
Pm2 Pm 0.50000 0.00000 0.50000 1.00000
Pm3 Pm 0.04710 0.09420 0.33631 1.00000
Pm4 Pm 0.95290 0.90580 0.66369 1.00000
Pm5 Pm 0.95290 0.90580 0.83631 1.00000
Pm6 Pm 0.04710 0.09420 0.16369 1.00000
Pm7 Pm 0.77131 0.54262 0.41233 1.00000
Pm8 Pm 0.22869 0.45738 0.58767 1.00000
Pm9 Pm 0.22869 0.45738 0.91233 1.00000
Pm10 Pm 0.77131 0.54262 0.08767 1.00000
Pm11 Pm 0.33327 0.66654 0.25000 1.00000
Pm12 Pm 0.66673 0.33346 0.75000 1.00000
Sn1 Sn 0.66519 0.33039 0.25000 1.00000
Sn2 Sn 0.33481 0.66961 0.75000 1.00000
Se1 Se 0.86152 0.72304 0.53921 1.00000
Se2 Se 0.40935 0.81869 0.12419 1.00000
Se3 Se 0.13848 0.27696 0.46079 1.00000
Se4 Se 0.59065 0.18131 0.87581 1.00000
Se5 Se 0.86152 0.72304 0.96079 1.00000
Se6 Se 0.13848 0.27696 0.03921 1.00000
Se7 Se 0.59065 0.18131 0.62419 1.00000
Se8 Se 0.40935 0.81869 0.37581 1.00000
