V5Tc6Mo
Alexandria ALEXAlex-ID: agm006113392 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_95_spg12
VTc Mo Tc
2023-09-11 03:27:29.314689
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006113392).
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 agm006113392
data_agm006113392
_cell_length_a 4.30476
_cell_length_b 6.09821
_cell_length_c 6.80448
_cell_angle_alpha 90.00003
_cell_angle_beta 108.51559
_cell_angle_gamma 89.99995
_cell_volume 169.38013
_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
Mo1 Mo 0.00000 0.00000 0.00000 1.00000
Tc1 Tc 0.83205 0.74802 0.66399 1.00000
Tc2 Tc 0.83207 0.25193 0.66400 1.00000
Tc3 Tc 0.50001 0.25406 1.00000 1.00000
Tc4 Tc 0.49999 0.74594 0.00000 1.00000
Tc5 Tc 0.16793 0.74807 0.33600 1.00000
Tc6 Tc 0.16795 0.25198 0.33601 1.00000
V1 V 0.66673 0.50001 0.33360 1.00000
V2 V 0.33201 0.99999 0.66372 1.00000
V3 V 0.00000 0.50000 0.00000 1.00000
V4 V 0.66799 0.00002 0.33628 1.00000
V5 V 0.33327 0.50000 0.66640 1.00000
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