Ta2Ti(NbC2)3
Alexandria ALEXAlex-ID: agm040291903 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_1_spg12
TaTiC2 Ta3TiC4 Nb6C5 C
2024-10-03 09:07:01.530075
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm040291903).
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 agm040291903
data_agm040291903
_cell_length_a 5.46912
_cell_length_b 5.46912
_cell_length_c 5.48696
_cell_angle_alpha 80.40345
_cell_angle_beta 80.40345
_cell_angle_gamma 119.89531
_cell_volume 134.16837
_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
Ta1 Ta 0.66672 0.33328 0.50000 1.00000
Ta2 Ta 0.33328 0.66672 0.50000 1.00000
Ti1 Ti 0.00000 0.00000 0.50000 1.00000
Nb1 Nb 0.83524 0.16476 0.00000 1.00000
Nb2 Nb 0.16476 0.83524 0.00000 1.00000
Nb3 Nb 0.50000 0.50000 0.00000 1.00000
C1 C 0.58786 0.91889 0.74390 1.00000
C2 C 0.75039 0.75039 0.25693 1.00000
C3 C 0.41214 0.08111 0.25610 1.00000
C4 C 0.91889 0.58786 0.74390 1.00000
C5 C 0.24961 0.24961 0.74307 1.00000
C6 C 0.08111 0.41214 0.25610 1.00000
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