Ti2VCrN4
Alexandria ALEXAlex-ID: agm014637103 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_74_spg74
VN TiN CrN
2024-06-27 09:31:05.216757
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm014637103).
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 agm014637103
data_agm014637103
_cell_length_a 5.92797
_cell_length_b 5.92797
_cell_length_c 5.92797
_cell_angle_alpha 120.35193
_cell_angle_beta 119.70894
_cell_angle_gamma 89.94819
_cell_volume 147.22614
_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 0.00000 0.50000 0.00000 1.00000
Ti2 Ti 0.00000 0.00000 0.50000 1.00000
Ti3 Ti 0.00000 0.00000 0.00000 1.00000
Ti4 Ti 0.50000 0.00000 0.50000 1.00000
V1 V 0.50000 0.00000 0.00000 1.00000
V2 V 0.50000 0.50000 0.50000 1.00000
Cr1 Cr 0.50000 0.50000 0.00000 1.00000
Cr2 Cr 0.00000 0.50000 0.50000 1.00000
N1 N 0.25024 0.74849 0.50175 1.00000
N2 N 0.74675 0.74849 0.99825 1.00000
N3 N 0.25325 0.25151 0.00175 1.00000
N4 N 0.74976 0.25151 0.49825 1.00000
N5 N 0.25066 0.74639 0.99573 1.00000
N6 N 0.25066 0.25493 0.50427 1.00000
N7 N 0.74934 0.74507 0.49573 1.00000
N8 N 0.74934 0.25361 0.00427 1.00000
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