Ce5PmSn6
Alexandria ALEXAlex-ID: agm006089313 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_47_spg65
PmSn Ce2Sn3 Ce5Sn4
2023-09-08 21:19:28.259073
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006089313).
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 agm006089313
data_agm006089313
_cell_length_a 4.95911
_cell_length_b 9.00628
_cell_length_c 7.83906
_cell_angle_alpha 90.00001
_cell_angle_beta 71.56024
_cell_angle_gamma 90.00004
_cell_volume 332.14068
_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
Sn1 Sn 0.83393 0.74980 0.33214 1.00000
Sn2 Sn 0.83393 0.25020 0.33214 1.00000
Sn3 Sn 0.50000 0.24915 0.00000 1.00000
Sn4 Sn 0.50000 0.75085 1.00000 1.00000
Sn5 Sn 0.16607 0.74980 0.66786 1.00000
Sn6 Sn 0.16607 0.25020 0.66786 1.00000
Ce1 Ce 0.66670 0.50000 0.66660 1.00000
Ce2 Ce 0.33193 0.00000 0.33613 1.00000
Ce3 Ce 0.00000 0.50000 0.00000 1.00000
Ce4 Ce 0.66807 1.00000 0.66387 1.00000
Ce5 Ce 0.33330 0.50000 0.33340 1.00000
Pm1 Pm 0.00000 0.00000 0.00000 1.00000
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