ThInCuTe3
Alexandria ALEXAlex-ID: agm002268614 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD3_1_spg11
ThTe2 InTe Cu
2018-11-01 09:35:25
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002268614).
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 agm002268614
data_agm002268614
_cell_length_a 4.38947
_cell_length_b 8.60048
_cell_length_c 11.39290
_cell_angle_alpha 109.64580
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 405.06286
_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
Te1 Te 0.75000 0.04436 0.81795 1.00000
Te2 Te 0.25000 0.95564 0.18205 1.00000
Te3 Te 0.25000 0.23883 0.54859 1.00000
Te4 Te 0.75000 0.76117 0.45141 1.00000
Te5 Te 0.75000 0.58417 0.87076 1.00000
Te6 Te 0.25000 0.41583 0.12924 1.00000
Cu1 Cu 0.25000 0.91353 0.40245 1.00000
Cu2 Cu 0.75000 0.08647 0.59755 1.00000
Th1 Th 0.25000 0.30525 0.83072 1.00000
Th2 Th 0.75000 0.69475 0.16928 1.00000
In1 In 0.25000 0.72540 0.67385 1.00000
In2 In 0.75000 0.27460 0.32615 1.00000
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