Ta2V(CrC2)3
Alexandria ALEXAlex-ID: agm040366330 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_175_spg12
Ta2Cr2C3 V6C5 C Cr3C2
2024-10-15 09:31:23.686084
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm040366330).
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 agm040366330
data_agm040366330
_cell_length_a 5.29459
_cell_length_b 5.29459
_cell_length_c 5.11516
_cell_angle_alpha 80.07496
_cell_angle_beta 80.07496
_cell_angle_gamma 119.90719
_cell_volume 116.70041
_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 0.66733 0.33267 0.00000 1.00000
Ta2 Ta 0.33267 0.66733 0.00000 1.00000
V1 V 0.00000 0.00000 0.00000 1.00000
Cr1 Cr 0.83666 0.16334 0.50000 1.00000
Cr2 Cr 0.16334 0.83666 0.50000 1.00000
Cr3 Cr 0.50000 0.50000 0.50000 1.00000
C1 C 0.58619 0.91251 0.26234 1.00000
C2 C 0.76088 0.76088 0.73528 1.00000
C3 C 0.41381 0.08749 0.73766 1.00000
C4 C 0.91251 0.58619 0.26234 1.00000
C5 C 0.23912 0.23912 0.26472 1.00000
C6 C 0.08749 0.41381 0.73766 1.00000
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