ThTc2C3
Alexandria ALEXAlex-ID: agm005689914 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_1009_spg63
Th2Tc2C3 C Tc
2023-08-07 08:53:56.233599
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005689914).
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 agm005689914
data_agm005689914
_cell_length_a 5.29252
_cell_length_b 7.31008
_cell_length_c 5.85792
_cell_angle_alpha 128.60754
_cell_angle_beta 89.99998
_cell_angle_gamma 90.00000
_cell_volume 177.10182
_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 0.75000 0.29396 0.58793 1.00000
Th2 Th 0.25000 0.70604 0.41207 1.00000
Tc1 Tc 0.50000 0.19534 0.00000 1.00000
Tc2 Tc 0.50000 0.80466 1.00000 1.00000
Tc3 Tc 0.00000 0.80466 1.00000 1.00000
Tc4 Tc 1.00000 0.19534 0.00000 1.00000
C1 C 0.25000 0.52807 0.86756 1.00000
C2 C 0.75000 0.47193 0.13244 1.00000
C3 C 0.75000 0.66052 0.13244 1.00000
C4 C 0.25000 0.33948 0.86756 1.00000
C5 C 0.25000 0.06760 0.13520 1.00000
C6 C 0.75000 0.93240 0.86480 1.00000
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