Th3TeC2
Alexandria ALEXAlex-ID: agm005804620 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_39_spg63
Th2TeC Th6C5 Th2TeC2
2023-08-07 08:36:05.929592
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005804620).
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 agm005804620
data_agm005804620
_cell_length_a 4.07050
_cell_length_b 7.20607
_cell_length_c 10.19978
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 106.40562
_cell_volume 287.00209
_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
Th1 Th 0.61982 0.23963 0.05830 1.00000
Th2 Th 0.05788 0.11576 0.75000 1.00000
Th3 Th 0.61982 0.23963 0.44170 1.00000
Th4 Th 0.94212 0.88424 0.25000 1.00000
Th5 Th 0.38018 0.76037 0.94170 1.00000
Th6 Th 0.38018 0.76037 0.55830 1.00000
Te1 Te 0.25258 0.50517 0.25000 1.00000
Te2 Te 0.74742 0.49483 0.75000 1.00000
C1 C 0.00000 0.00000 0.00000 1.00000
C2 C 0.00000 0.00000 0.50000 1.00000
C3 C 0.53152 0.06304 0.25000 1.00000
C4 C 0.46848 0.93696 0.75000 1.00000
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