ScTi6V
Alexandria ALEXAlex-ID: agm034362855 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC6_35_spg2
Sc Ti V
2024-10-15 13:41:23.503822
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034362855).
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 agm034362855
data_agm034362855
_cell_length_a 7.99193
_cell_length_b 7.99193
_cell_length_c 7.99193
_cell_angle_alpha 33.58914
_cell_angle_beta 33.58914
_cell_angle_gamma 33.58914
_cell_volume 139.16758
_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
Sc1 Sc 0.00000 0.00000 0.00000 1.00000
Ti1 Ti 0.74114 0.74114 0.74114 1.00000
Ti2 Ti 0.25886 0.25886 0.25886 1.00000
Ti3 Ti 0.39549 0.39549 0.39549 1.00000
Ti4 Ti 0.87019 0.87019 0.87019 1.00000
Ti5 Ti 0.12981 0.12981 0.12981 1.00000
Ti6 Ti 0.60451 0.60451 0.60451 1.00000
V1 V 0.50000 0.50000 0.50000 1.00000
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