Pm3Sm3Tl2
Alexandria ALEXAlex-ID: agm003328085 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C3_82_spg63
PmSm4Tl3 PmSm2 Pm
2022-01-22 23:10:05.660366
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003328085).
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 agm003328085
data_agm003328085
_cell_length_a 5.36982
_cell_length_b 6.74502
_cell_length_c 15.69989
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 113.45685
_cell_volume 521.65091
_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 0.95943 0.91886 0.39278 1.00000
Pm2 Pm 0.04057 0.08114 0.89278 1.00000
Pm3 Pm 0.95943 0.91886 0.10722 1.00000
Pm4 Pm 0.04057 0.08114 0.60722 1.00000
Pm5 Pm 0.72809 0.45617 0.25000 1.00000
Pm6 Pm 0.27191 0.54383 0.75000 1.00000
Sm1 Sm 0.63562 0.27124 0.47096 1.00000
Sm2 Sm 0.36438 0.72876 0.97096 1.00000
Sm3 Sm 0.63562 0.27124 0.02904 1.00000
Sm4 Sm 0.36438 0.72876 0.52904 1.00000
Sm5 Sm 0.44580 0.89159 0.25000 1.00000
Sm6 Sm 0.55420 0.10841 0.75000 1.00000
Tl1 Tl 0.78168 0.56336 0.86333 1.00000
Tl2 Tl 0.21832 0.43664 0.36333 1.00000
Tl3 Tl 0.78168 0.56336 0.63667 1.00000
Tl4 Tl 0.21832 0.43664 0.13667 1.00000
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