TiVC
Alexandria ALEXAlex-ID: agm005652569 · Space group: I-42d (#122)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_9129_spg43
Ti3C2 V2C V
2023-06-17 03:29:15.731014
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005652569).
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 agm005652569
data_agm005652569
_cell_length_a 5.76366
_cell_length_b 5.76366
_cell_length_c 5.76776
_cell_angle_alpha 106.07671
_cell_angle_beta 106.07670
_cell_angle_gamma 116.47183
_cell_volume 145.86524
_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
Ti1 Ti 0.21202 0.42122 0.70747 1.00000
Ti2 Ti 0.17122 0.46202 0.20747 1.00000
Ti3 Ti 0.25455 0.96375 0.79253 1.00000
Ti4 Ti 0.71375 0.50455 0.29253 1.00000
V1 V 0.65936 0.96191 0.19527 1.00000
V2 V 0.21409 0.01664 0.30473 1.00000
V3 V 0.71191 0.90936 0.69527 1.00000
V4 V 0.76664 0.46409 0.80473 1.00000
C1 C 0.95151 0.96287 0.48846 1.00000
C2 C 0.21306 0.72442 0.01154 1.00000
C3 C 0.47442 0.46306 0.51154 1.00000
C4 C 0.71287 0.20151 0.98846 1.00000
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