V3TcOs4
Alexandria ALEXAlex-ID: agm017603666 · Space group: Pmmm (#47)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4_37_spg47
V5Os3 V2TcOs VOs5
2024-10-15 09:17:16.656302
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017603666).
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 agm017603666
data_agm017603666
_cell_length_a 2.99197
_cell_length_b 4.35003
_cell_length_c 8.65336
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 112.62484
_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 0.00000 0.00000 0.73978 1.00000
V2 V 0.00000 0.50000 0.00000 1.00000
V3 V 0.00000 0.00000 0.26022 1.00000
Tc1 Tc 0.00000 0.50000 0.50000 1.00000
Os1 Os 0.50000 0.00000 0.00000 1.00000
Os2 Os 0.50000 0.50000 0.23379 1.00000
Os3 Os 0.50000 0.00000 0.50000 1.00000
Os4 Os 0.50000 0.50000 0.76621 1.00000
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