Sm3(TlHg)2
Alexandria ALEXAlex-ID: agm010110197 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C3_21_spg12
Sm3Hg4 Sm3Tl5 SmTl
2024-06-01 17:26:55.040184
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010110197).
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 agm010110197
data_agm010110197
_cell_length_a 5.01856
_cell_length_b 5.01856
_cell_length_c 9.50637
_cell_angle_alpha 74.30857
_cell_angle_beta 74.30857
_cell_angle_gamma 60.31989
_cell_volume 197.57626
_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 0.50000 0.50000 0.00000 1.00000
Sm2 Sm 0.36615 0.36615 0.40004 1.00000
Sm3 Sm 0.63385 0.63385 0.59996 1.00000
Tl1 Tl 0.22623 0.22623 0.82087 1.00000
Tl2 Tl 0.77377 0.77377 0.17913 1.00000
Hg1 Hg 0.06693 0.06693 0.29740 1.00000
Hg2 Hg 0.93307 0.93307 0.70260 1.00000
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