V4Tc2Mo3
Alexandria ALEXAlex-ID: agm005640052 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_283_spg15
V2TcMo2 V3Tc2 VMo2
2023-06-29 06:16:51.565369
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005640052).
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 agm005640052
data_agm005640052
_cell_length_a 4.75809
_cell_length_b 7.53526
_cell_length_c 7.53526
_cell_angle_alpha 80.87391
_cell_angle_beta 91.49114
_cell_angle_gamma 91.49115
_cell_volume 266.58912
_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 0.51087 0.83249 0.30791 1.00000
V2 V 0.98913 0.69209 0.16751 1.00000
V3 V 0.48913 0.16751 0.69209 1.00000
V4 V 0.01087 0.30791 0.83249 1.00000
V5 V 0.96834 0.16261 0.50696 1.00000
V6 V 0.53166 0.49304 0.83739 1.00000
V7 V 0.03166 0.83739 0.49304 1.00000
V8 V 0.46834 0.50696 0.16261 1.00000
Tc1 Tc 0.46851 0.17520 0.36289 1.00000
Tc2 Tc 0.03149 0.63711 0.82480 1.00000
Tc3 Tc 0.53149 0.82480 0.63711 1.00000
Tc4 Tc 0.96851 0.36289 0.17520 1.00000
Mo1 Mo 0.99250 0.02013 0.17053 1.00000
Mo2 Mo 0.50750 0.82947 0.97987 1.00000
Mo3 Mo 0.00750 0.97987 0.82947 1.00000
Mo4 Mo 0.49250 0.17053 0.02013 1.00000
Mo5 Mo 0.25000 0.49945 0.50055 1.00000
Mo6 Mo 0.75000 0.50055 0.49945 1.00000
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