Tb3Pr4ThSe8
Alexandria ALEXAlex-ID: agm004725554 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4D8_20_spg12
Tb4ThSe5 TbTh4Se5 Tb2Pr3Se5
2023-02-05 08:51:24.370227
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004725554).
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 agm004725554
data_agm004725554
_cell_length_a 8.36452
_cell_length_b 8.42372
_cell_length_c 8.36536
_cell_angle_alpha 119.78033
_cell_angle_beta 119.99669
_cell_angle_gamma 90.00000
_cell_volume 418.18649
_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 0.50000 0.50000 0.00000 1.00000
Tb2 Tb 0.50000 0.50000 0.50000 1.00000
Tb3 Tb 0.00000 0.50000 0.50000 1.00000
Pr1 Pr 0.50000 0.00000 0.00000 1.00000
Pr2 Pr 0.50000 0.00000 0.50000 1.00000
Pr3 Pr 0.00000 0.00000 0.00000 1.00000
Pr4 Pr 0.00000 0.00000 0.50000 1.00000
Th1 Th 0.00000 0.50000 0.00000 1.00000
Se1 Se 0.24817 0.73791 0.98943 1.00000
Se2 Se 0.24842 0.73739 0.49685 1.00000
Se3 Se 0.25562 0.26586 0.51124 1.00000
Se4 Se 0.74126 0.73791 0.98943 1.00000
Se5 Se 0.25874 0.26209 0.01057 1.00000
Se6 Se 0.74438 0.73414 0.48876 1.00000
Se7 Se 0.75158 0.26261 0.50315 1.00000
Se8 Se 0.75183 0.26209 0.01057 1.00000
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