Cs(ThTe2)2
Alexandria ALEXAlex-ID: agm003454209 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_20_spg63
Cs2ThTe3 ThTe Th7Te12
2022-02-20 01:51:54.087691
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003454209).
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 agm003454209
data_agm003454209
_cell_length_a 4.63775
_cell_length_b 7.94134
_cell_length_c 15.96484
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 106.97776
_cell_volume 562.35888
_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
Cs1 Cs 0.60816 0.21632 0.75000 1.00000
Cs2 Cs 0.39184 0.78368 0.25000 1.00000
Th1 Th 0.12906 0.25812 0.43805 1.00000
Th2 Th 0.87094 0.74188 0.93805 1.00000
Th3 Th 0.12906 0.25812 0.06195 1.00000
Th4 Th 0.87094 0.74188 0.56195 1.00000
Te1 Te 0.76412 0.52823 0.10712 1.00000
Te2 Te 0.76412 0.52823 0.39288 1.00000
Te3 Te 0.23588 0.47177 0.89288 1.00000
Te4 Te 0.23588 0.47177 0.60712 1.00000
Te5 Te 0.91315 0.82630 0.75000 1.00000
Te6 Te 0.08685 0.17370 0.25000 1.00000
Te7 Te 0.50000 0.00000 0.00000 1.00000
Te8 Te 0.50000 0.00000 0.50000 1.00000
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