Tb3Sm(TmSb2)4
Alexandria ALEXAlex-ID: agm045356669 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4D8_20_spg12
TbSm3Sb4 TbTm3Sb4 Tb3TmSb4
2024-12-12 00:10:00
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm045356669).
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 agm045356669
data_agm045356669
_cell_length_a 8.75795
_cell_length_b 8.75795
_cell_length_c 8.75795
_cell_angle_alpha 60.00573
_cell_angle_beta 60.00573
_cell_angle_gamma 60.00573
_cell_volume 475.06112
_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
Tb1 Tb 0.00000 0.00000 0.50000 1.00000
Tb2 Tb 0.50000 0.00000 0.00000 1.00000
Tb3 Tb 0.00000 0.50000 0.00000 1.00000
Sm1 Sm 0.50000 0.50000 0.50000 1.00000
Tm1 Tm 0.00000 0.00000 0.00000 1.00000
Tm2 Tm 0.50000 0.00000 0.50000 1.00000
Tm3 Tm 0.50000 0.50000 0.00000 1.00000
Tm4 Tm 0.00000 0.50000 0.50000 1.00000
Sb1 Sb 0.74997 0.24698 0.24698 1.00000
Sb2 Sb 0.24698 0.24698 0.74997 1.00000
Sb3 Sb 0.25154 0.25154 0.25154 1.00000
Sb4 Sb 0.24698 0.74997 0.24698 1.00000
Sb5 Sb 0.75302 0.25003 0.75302 1.00000
Sb6 Sb 0.74846 0.74846 0.74846 1.00000
Sb7 Sb 0.75302 0.75302 0.25003 1.00000
Sb8 Sb 0.25003 0.75302 0.75302 1.00000
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