Tb2Ce3NdSe6
Alexandria ALEXAlex-ID: agm042137196 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_201_spg12
CeNdSe2 Tb3Ce2Se5 Ce2NdSe3
2024-12-12 01:30:46
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm042137196).
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 agm042137196
data_agm042137196
_cell_length_a 9.33391
_cell_length_b 9.33391
_cell_length_c 8.37899
_cell_angle_alpha 77.01352
_cell_angle_beta 102.98648
_cell_angle_gamma 154.29493
_cell_volume 308.10102
_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 0.16575 0.83425 0.33148 1.00000
Tb2 Tb 0.83425 0.16575 0.66852 1.00000
Ce1 Ce 0.50000 0.50000 0.00000 1.00000
Ce2 Ce 0.83448 0.16552 0.16514 1.00000
Ce3 Ce 0.16552 0.83448 0.83486 1.00000
Nd1 Nd 0.50000 0.50000 0.50000 1.00000
Se1 Se 0.66963 0.33037 0.57872 1.00000
Se2 Se 0.33254 0.66746 0.90872 1.00000
Se3 Se 0.33037 0.66963 0.42128 1.00000
Se4 Se 0.99729 0.00271 0.74982 1.00000
Se5 Se 0.00271 0.99729 0.25018 1.00000
Se6 Se 0.66746 0.33254 0.09128 1.00000
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