Pr3Tm5Sn2
Alexandria ALEXAlex-ID: agm003344286 · Space group: Ibam (#72)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C5_101_spg72
PrTm2 Tm5Sn3 Pr
2022-02-02 13:51:31.733837
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003344286).
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 agm003344286
data_agm003344286
_cell_length_a 6.39861
_cell_length_b 10.58994
_cell_length_c 10.58994
_cell_angle_alpha 94.68166
_cell_angle_beta 72.41577
_cell_angle_gamma 72.41573
_cell_volume 640.17996
_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 0.25000 0.00000 0.00000 1.00000
Pr2 Pr 0.75000 0.00000 0.00000 1.00000
Pr3 Pr 0.37325 0.35335 0.90015 1.00000
Pr4 Pr 0.62675 0.64665 0.09985 1.00000
Pr5 Pr 0.87325 0.90015 0.35335 1.00000
Pr6 Pr 0.12675 0.09985 0.64665 1.00000
Tm1 Tm 0.25000 0.50000 0.50000 1.00000
Tm2 Tm 0.75000 0.50000 0.50000 1.00000
Tm3 Tm 0.50454 0.74546 0.74546 1.00000
Tm4 Tm 0.99546 0.25454 0.25454 1.00000
Tm5 Tm 0.49546 0.25454 0.25454 1.00000
Tm6 Tm 0.00454 0.74546 0.74546 1.00000
Tm7 Tm 0.10279 0.56030 0.23412 1.00000
Tm8 Tm 0.89721 0.43970 0.76588 1.00000
Tm9 Tm 0.60279 0.23412 0.56030 1.00000
Tm10 Tm 0.39721 0.76588 0.43970 1.00000
Sn1 Sn 0.14353 0.70826 0.00467 1.00000
Sn2 Sn 0.85647 0.29174 0.99533 1.00000
Sn3 Sn 0.64353 0.00467 0.70826 1.00000
Sn4 Sn 0.35647 0.99533 0.29174 1.00000
