V4TcB4
Alexandria ALEXAlex-ID: agm003592829 · Space group: P4_2/n (#86)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C4_177_spg86
Tc7B3 VTc VB
2022-04-04 15:01:58.659371
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003592829).
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 agm003592829
data_agm003592829
_cell_length_a 4.35078
_cell_length_b 6.63926
_cell_length_c 6.63926
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 191.78159
_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 0.36731 0.31817 0.91200 1.00000
V2 V 0.86731 0.58800 0.81817 1.00000
V3 V 0.36731 0.68183 0.08800 1.00000
V4 V 0.13269 0.18183 0.58800 1.00000
V5 V 0.63269 0.91200 0.68183 1.00000
V6 V 0.13269 0.81817 0.41200 1.00000
V7 V 0.86731 0.41200 0.18183 1.00000
V8 V 0.63269 0.08800 0.31817 1.00000
Tc1 Tc 0.00000 0.00000 0.00000 1.00000
Tc2 Tc 0.50000 0.50000 0.50000 1.00000
B1 B 0.64261 0.76671 0.36009 1.00000
B2 B 0.64261 0.23329 0.63991 1.00000
B3 B 0.14261 0.86009 0.73329 1.00000
B4 B 0.85739 0.26671 0.86009 1.00000
B5 B 0.85739 0.73329 0.13991 1.00000
B6 B 0.35739 0.36009 0.23329 1.00000
B7 B 0.35739 0.63991 0.76671 1.00000
B8 B 0.14261 0.13991 0.26671 1.00000
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