TbCe2(ThSe2)3
Alexandria ALEXAlex-ID: agm040552580 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_329_spg12
CeThSe2 CeTh3Se4 Tb3Ce2Se5
2025-02-12 23:18:28
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm040552580).
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 agm040552580
data_agm040552580
_cell_length_a 9.42336
_cell_length_b 9.42336
_cell_length_c 8.55475
_cell_angle_alpha 74.93270
_cell_angle_beta 105.06730
_cell_angle_gamma 154.93531
_cell_volume 310.20216
_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
Ce1 Ce 0.16682 0.83318 0.33392 1.00000
Ce2 Ce 0.83318 0.16682 0.66608 1.00000
Th1 Th 0.50000 0.50000 0.50000 1.00000
Th2 Th 0.16791 0.83209 0.83264 1.00000
Th3 Th 0.83209 0.16791 0.16736 1.00000
Se1 Se 0.66274 0.33726 0.08331 1.00000
Se2 Se 0.33243 0.66757 0.41945 1.00000
Se3 Se 0.33726 0.66274 0.91669 1.00000
Se4 Se 0.99994 0.00006 0.75909 1.00000
Se5 Se 0.00006 0.99994 0.24091 1.00000
Se6 Se 0.66757 0.33243 0.58055 1.00000
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