Ce3(ThTe2)4
Alexandria ALEXAlex-ID: agm005702803 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C8_84_spg12
ThTe Th7Te12 CeTe
2023-06-29 19:46:07.377462
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005702803).
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 agm005702803
data_agm005702803
_cell_length_a 8.86522
_cell_length_b 8.88980
_cell_length_c 8.88981
_cell_angle_alpha 90.06764
_cell_angle_beta 119.83871
_cell_angle_gamma 119.83876
_cell_volume 497.51969
_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
Ce1 Ce 0.50000 0.50000 0.00000 1.00000
Ce2 Ce 0.50000 0.00000 0.50000 1.00000
Ce3 Ce 0.50000 0.50000 0.50000 1.00000
Th1 Th 0.50000 0.00000 0.00000 1.00000
Th2 Th 0.00000 0.50000 0.00000 1.00000
Th3 Th 0.00000 0.00000 0.00000 1.00000
Th4 Th 0.00000 0.00000 0.50000 1.00000
Te1 Te 0.51553 0.25812 0.25812 1.00000
Te2 Te 0.00000 0.74080 0.25920 1.00000
Te3 Te 0.00068 0.26094 0.26094 1.00000
Te4 Te 0.50000 0.74906 0.25094 1.00000
Te5 Te 0.50000 0.25094 0.74906 1.00000
Te6 Te 0.99932 0.73906 0.73906 1.00000
Te7 Te 1.00000 0.25920 0.74080 1.00000
Te8 Te 0.48447 0.74188 0.74188 1.00000
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