TbThSb2
Alexandria ALEXAlex-ID: agm034838057 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_11079_spg12
Tb2ThSb3 ThSb
2025-01-25 02:27:51
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034838057).
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 agm034838057
data_agm034838057
_cell_length_a 9.97218
_cell_length_b 9.97218
_cell_length_c 8.88865
_cell_angle_alpha 76.91840
_cell_angle_beta 103.08160
_cell_angle_gamma 154.14039
_cell_volume 374.99988
_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 0.16845 0.83155 0.83586 1.00000
Tb2 Tb 0.83155 0.16845 0.16414 1.00000
Tb3 Tb 0.50000 0.50000 0.00000 1.00000
Th1 Th 0.50000 0.50000 0.50000 1.00000
Th2 Th 0.83515 0.16485 0.66981 1.00000
Th3 Th 0.16485 0.83515 0.33019 1.00000
Sb1 Sb 0.33403 0.66597 0.92222 1.00000
Sb2 Sb 0.33251 0.66749 0.41086 1.00000
Sb3 Sb 0.66597 0.33403 0.07778 1.00000
Sb4 Sb 0.99681 0.00319 0.24305 1.00000
Sb5 Sb 0.00319 0.99681 0.75695 1.00000
Sb6 Sb 0.66749 0.33251 0.58914 1.00000
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