Ti4V9
Alexandria ALEXAlex-ID: agm030796784 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A4B9_236_spg12
V Ti
2024-10-22 04:07:59.421992
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm030796784).
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 agm030796784
data_agm030796784
_cell_length_a 4.28483
_cell_length_b 6.73884
_cell_length_c 7.50001
_cell_angle_alpha 70.18302
_cell_angle_beta 73.64747
_cell_angle_gamma 71.34685
_cell_volume 189.35924
_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 0.07349 0.55843 0.29226 1.00000
Ti2 Ti 0.38365 0.70993 0.52280 1.00000
Ti3 Ti 0.92651 0.44157 0.70774 1.00000
Ti4 Ti 0.61635 0.29007 0.47720 1.00000
V1 V 0.30507 0.15580 0.23207 1.00000
V2 V 0.69493 0.84420 0.76793 1.00000
V3 V 0.00000 0.00000 0.00000 1.00000
V4 V 0.46493 0.20678 0.86695 1.00000
V5 V 0.53507 0.79322 0.13305 1.00000
V6 V 0.23631 0.61123 0.91855 1.00000
V7 V 0.76369 0.38877 0.08145 1.00000
V8 V 0.15815 0.05312 0.63305 1.00000
V9 V 0.84185 0.94688 0.36695 1.00000
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