VCu2AgH8
Alexandria ALEXAlex-ID: agm007407789 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_305_spg12
CuH4 VH2 Ag Cu
2024-02-08 19:25:34
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007407789).
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 agm007407789
data_agm007407789
_cell_length_a 4.34462
_cell_length_b 5.02758
_cell_length_c 6.20406
_cell_angle_alpha 70.59854
_cell_angle_beta 51.74493
_cell_angle_gamma 64.77763
_cell_volume 95.82271
_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 0.00000 0.00000 0.50000 1.00000
Cu1 Cu 0.39580 0.38395 0.40378 1.00000
Cu2 Cu 0.60420 0.61605 0.59622 1.00000
Ag1 Ag 0.00000 0.00000 0.00000 1.00000
H1 H 0.93476 0.28092 0.66971 1.00000
H2 H 0.37293 0.19891 0.22726 1.00000
H3 H 0.06524 0.71908 0.33029 1.00000
H4 H 0.95188 0.22486 0.21428 1.00000
H5 H 0.04812 0.77514 0.78572 1.00000
H6 H 0.50522 0.71863 0.34018 1.00000
H7 H 0.49478 0.28137 0.65982 1.00000
H8 H 0.62707 0.80109 0.77274 1.00000
Get direct link