Ti2V6Cd
Alexandria ALEXAlex-ID: agm069647635 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_160_spg71
Ti2Cd V
2024-10-22 21:08:44.329711
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm069647635).
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 agm069647635
data_agm069647635
_cell_length_a 7.15338
_cell_length_b 7.15338
_cell_length_c 7.15338
_cell_angle_alpha 106.69201
_cell_angle_beta 112.73307
_cell_angle_gamma 109.04646
_cell_volume 280.98060
_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
Ti1 Ti 0.00000 0.16773 0.16773 1.00000
Ti2 Ti 0.00000 0.83227 0.83227 1.00000
Ti3 Ti 0.13923 0.63923 0.50000 1.00000
Ti4 Ti 0.86077 0.36077 0.50000 1.00000
V1 V 0.00012 0.79786 0.20226 1.00000
V2 V 0.99988 0.20214 0.79774 1.00000
V3 V 0.59561 0.79786 0.79774 1.00000
V4 V 0.40439 0.20214 0.20226 1.00000
V5 V 0.29317 0.05011 0.75694 1.00000
V6 V 0.70683 0.94989 0.24306 1.00000
V7 V 0.70683 0.46377 0.75694 1.00000
V8 V 0.29317 0.53623 0.24306 1.00000
V9 V 0.25450 0.28020 0.53470 1.00000
V10 V 0.74550 0.71980 0.46530 1.00000
V11 V 0.74550 0.28020 0.02569 1.00000
V12 V 0.25450 0.71980 0.97431 1.00000
Cd1 Cd 0.50000 0.50000 0.00000 1.00000
Cd2 Cd 0.50000 0.00000 0.50000 1.00000
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