V(PdPt3)2
Alexandria ALEXAlex-ID: agm077670700 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_439_spg69
VPd5Pt6 VPdPt6
2025-01-10 09:30:21
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm077670700).
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 agm077670700
data_agm077670700
_cell_length_a 6.22349
_cell_length_b 6.22349
_cell_length_c 6.26257
_cell_angle_alpha 72.52779
_cell_angle_beta 107.47221
_cell_angle_gamma 143.47396
_cell_volume 136.96362
_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 0.50000 0.50000 0.50000 1.00000
Pd1 Pd 0.83745 0.16255 0.49699 1.00000
Pd2 Pd 0.16255 0.83745 0.50301 1.00000
Pt1 Pt 0.94753 0.05247 0.17880 1.00000
Pt2 Pt 0.05247 0.94753 0.82120 1.00000
Pt3 Pt 0.28032 0.71968 0.17046 1.00000
Pt4 Pt 0.71968 0.28032 0.82954 1.00000
Pt5 Pt 0.38993 0.61007 0.82561 1.00000
Pt6 Pt 0.61007 0.38993 0.17439 1.00000
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