V2Ni3Pd4
Alexandria ALEXAlex-ID: agm005654596 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_298_spg12
VPd3 VNi3 VPd5
2023-06-29 05:35:03.064935
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005654596).
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 agm005654596
data_agm005654596
_cell_length_a 3.75529
_cell_length_b 4.63975
_cell_length_c 7.95905
_cell_angle_alpha 72.73873
_cell_angle_beta 76.35455
_cell_angle_gamma 66.12851
_cell_volume 120.03068
_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 0.32675 0.11167 0.23484 1.00000
V2 V 0.67325 0.88833 0.76516 1.00000
Ni1 Ni 0.32834 0.78965 0.55368 1.00000
Ni2 Ni 0.00000 0.00000 0.00000 1.00000
Ni3 Ni 0.67166 0.21035 0.44632 1.00000
Pd1 Pd 0.66478 0.55967 0.11077 1.00000
Pd2 Pd 0.00863 0.31708 0.66566 1.00000
Pd3 Pd 0.99137 0.68292 0.33434 1.00000
Pd4 Pd 0.33522 0.44033 0.88923 1.00000
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