Pr(TiSn)6
Alexandria ALEXAlex-ID: agm024809040 · Space group: P6/mmm (#191)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C6_52_spg191
Ti6Sn5 PrSn
2024-09-30 11:28:43.770342
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024809040).
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 agm024809040
data_agm024809040
_cell_length_a 5.78343
_cell_length_b 5.78343
_cell_length_c 9.56956
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 120.00000
_cell_volume 277.20078
_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
Pr1 Pr 0.00000 0.00000 0.00000 1.00000
Ti1 Ti 0.00000 0.50000 0.75140 1.00000
Ti2 Ti 0.50000 0.50000 0.75140 1.00000
Ti3 Ti 0.50000 0.00000 0.75140 1.00000
Ti4 Ti 0.00000 0.50000 0.24860 1.00000
Ti5 Ti 0.50000 0.50000 0.24860 1.00000
Ti6 Ti 0.50000 0.00000 0.24860 1.00000
Sn1 Sn 0.66667 0.33333 0.50000 1.00000
Sn2 Sn 0.33333 0.66667 0.50000 1.00000
Sn3 Sn 0.66667 0.33333 0.00000 1.00000
Sn4 Sn 0.33333 0.66667 0.00000 1.00000
Sn5 Sn 0.00000 0.00000 0.66976 1.00000
Sn6 Sn 0.00000 0.00000 0.33024 1.00000
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