V8Cr2Tc
Alexandria ALEXAlex-ID: agm003523966 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C8_314_spg12
V5Cr2 V4Tc V5Cr3
2022-03-18 12:34:21.347461
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003523966).
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 agm003523966
data_agm003523966
_cell_length_a 5.00878
_cell_length_b 5.72357
_cell_length_c 5.72357
_cell_angle_alpha 90.48675
_cell_angle_beta 83.23535
_cell_angle_gamma 83.23535
_cell_volume 161.76552
_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
V1 V 0.72293 0.08716 0.60502 1.00000
V2 V 0.27707 0.39498 0.91284 1.00000
V3 V 0.95767 0.30203 0.30203 1.00000
V4 V 0.04233 0.69797 0.69797 1.00000
V5 V 0.72293 0.60502 0.08716 1.00000
V6 V 0.27707 0.91284 0.39498 1.00000
V7 V 0.35125 0.41605 0.41605 1.00000
V8 V 0.64875 0.58395 0.58395 1.00000
Cr1 Cr 0.53783 0.13806 0.13806 1.00000
Cr2 Cr 0.46217 0.86194 0.86194 1.00000
Tc1 Tc 0.00000 0.00000 0.00000 1.00000
Get direct link