Sm4TlTe2
Alexandria ALEXAlex-ID: agm003454157 · Space group: I4_1/amd (#141)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_1125_spg15
Sm4TlTe3 Sm5Tl3 Sm
2022-02-20 01:41:30.729114
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003454157).
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 agm003454157
data_agm003454157
_cell_length_a 8.45001
_cell_length_b 8.45003
_cell_length_c 8.44394
_cell_angle_alpha 108.92770
_cell_angle_beta 108.93102
_cell_angle_gamma 110.59652
_cell_volume 463.79222
_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 0.94018 0.25071 0.30997 1.00000
Sm2 Sm 0.30982 0.49930 0.19002 1.00000
Sm3 Sm 0.94076 0.63023 0.69004 1.00000
Sm4 Sm 0.74928 0.05982 0.69002 1.00000
Sm5 Sm 0.36977 0.05925 0.30996 1.00000
Sm6 Sm 0.30927 0.11977 0.80997 1.00000
Sm7 Sm 0.50071 0.69019 0.81000 1.00000
Sm8 Sm 0.88023 0.69074 0.19002 1.00000
Tl1 Tl 0.25009 0.75009 0.50000 1.00000
Tl2 Tl 0.99990 0.99990 1.00000 1.00000
Te1 Te 0.62500 0.37500 0.74999 1.00000
Te2 Te 0.62501 0.87501 0.25001 1.00000
Te3 Te 0.62500 0.37501 0.25001 1.00000
Te4 Te 0.12499 0.37499 0.74999 1.00000
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