V2CuPt5Rh
Alexandria ALEXAlex-ID: agm005175906 · Space group: I4/mcm (#140)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D5_275_spg140
VPtRh2 CuPt VPt2 VCuPt6
2023-01-19 14:01:29.926393
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005175906).
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 agm005175906
data_agm005175906
_cell_length_a 7.25765
_cell_length_b 7.25765
_cell_length_c 7.45231
_cell_angle_alpha 119.13962
_cell_angle_beta 119.13962
_cell_angle_gamma 90.00000
_cell_volume 284.63302
_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
V1 V 0.10137 0.39863 0.00000 1.00000
V2 V 0.60137 0.10137 1.00000 1.00000
V3 V 0.39863 0.89863 0.00000 1.00000
V4 V 0.89863 0.60137 0.00000 1.00000
Cu1 Cu 0.25000 0.25000 0.50000 1.00000
Cu2 Cu 0.75000 0.75000 0.50000 1.00000
Pt1 Pt 0.91841 0.41841 0.25897 1.00000
Pt2 Pt 0.65944 0.15944 0.74103 1.00000
Pt3 Pt 0.08159 0.58159 0.74103 1.00000
Pt4 Pt 0.15944 0.08159 0.74103 1.00000
Pt5 Pt 0.58159 0.65944 0.74103 1.00000
Pt6 Pt 0.84056 0.91841 0.25897 1.00000
Pt7 Pt 0.41841 0.34056 0.25897 1.00000
Pt8 Pt 0.34056 0.84056 0.25897 1.00000
Pt9 Pt 0.50000 0.50000 0.00000 1.00000
Pt10 Pt 0.00000 0.00000 0.00000 1.00000
Rh1 Rh 0.25000 0.75000 0.50000 1.00000
Rh2 Rh 0.75000 0.25000 0.50000 1.00000
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