Sm6TlPd
Alexandria ALEXAlex-ID: agm003768136 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC6_230_spg12
Sm3Pd Sm5Tl3 Sm
2022-04-20 05:50:51.874601
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003768136).
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 agm003768136
data_agm003768136
_cell_length_a 6.92005
_cell_length_b 7.08302
_cell_length_c 6.94676
_cell_angle_alpha 59.34898
_cell_angle_beta 76.75462
_cell_angle_gamma 63.29300
_cell_volume 261.67333
_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
Sm1 Sm 0.74273 0.48337 0.59230 1.00000
Sm2 Sm 0.74273 0.07567 0.40770 1.00000
Sm3 Sm 0.25727 0.92433 0.59230 1.00000
Sm4 Sm 0.25727 0.51663 0.40770 1.00000
Sm5 Sm 0.72379 0.73185 1.00000 1.00000
Sm6 Sm 0.27621 0.26815 0.00000 1.00000
Tl1 Tl 0.00000 0.00000 0.00000 1.00000
Pd1 Pd 0.50000 0.50000 0.00000 1.00000
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