Ti6VRh2
Alexandria ALEXAlex-ID: agm003487366 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_663_spg12
Ti2V2Rh Ti2Rh Ti
2022-04-25 15:05:03.113665
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003487366).
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 agm003487366
data_agm003487366
_cell_length_a 4.23262
_cell_length_b 6.03538
_cell_length_c 7.38178
_cell_angle_alpha 114.12964
_cell_angle_beta 106.75628
_cell_angle_gamma 90.00000
_cell_volume 163.28167
_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 0.16392 0.41123 0.32813 1.00000
Ti2 Ti 0.83608 0.08310 0.67187 1.00000
Ti3 Ti 0.83608 0.58877 0.67187 1.00000
Ti4 Ti 0.50000 0.24411 1.00000 1.00000
Ti5 Ti 0.16392 0.91690 0.32813 1.00000
Ti6 Ti 0.50000 0.75589 0.00000 1.00000
V1 V 0.00000 0.00000 0.00000 1.00000
Rh1 Rh 0.66805 0.66816 0.33632 1.00000
Rh2 Rh 0.33195 0.33184 0.66368 1.00000
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