Tb2ThSe3
Alexandria ALEXAlex-ID: agm003429481 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_873_spg71
Tb4ThSe5 TbTh4Se5
2022-02-14 13:10:49.809331
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003429481).
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 agm003429481
data_agm003429481
_cell_length_a 4.07010
_cell_length_b 5.86204
_cell_length_c 7.22952
_cell_angle_alpha 113.91768
_cell_angle_beta 106.34927
_cell_angle_gamma 90.00000
_cell_volume 150.01602
_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 0.83681 0.83681 0.17361 1.00000
Tb2 Tb 0.16319 0.16319 0.82639 1.00000
Th1 Th 0.50000 0.50000 0.50000 1.00000
Se1 Se 0.82585 0.32585 0.15169 1.00000
Se2 Se 0.17415 0.67415 0.84831 1.00000
Se3 Se 0.50000 0.00000 0.50000 1.00000
