VTcRh
Alexandria ALEXAlex-ID: agm002030516 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_363_spg8
Tc3Rh VTc VRh3
2021-11-20 01:37:58
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002030516).
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
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# CIF generated by HEAS from Alexandria entry agm002030516
data_agm002030516
_cell_length_a 2.68428
_cell_length_b 5.11174
_cell_length_c 6.57534
_cell_angle_alpha 77.27284
_cell_angle_beta 78.28180
_cell_angle_gamma 75.65432
_cell_volume 84.20209
_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
Rh1 Rh 0.14268 0.24096 0.48887 1.00000
Rh2 Rh 0.85732 0.75904 0.51113 1.00000
Tc1 Tc 0.41202 0.39698 0.82861 1.00000
Tc2 Tc 0.58798 0.60302 0.17139 1.00000
V1 V 0.04864 0.09532 0.15754 1.00000
V2 V 0.95136 0.90468 0.84246 1.00000
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