VCdCu2H7
Alexandria ALEXAlex-ID: agm006751639 · Space group: C2 (#5)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D7_264_spg5
CdH4 VH2 Cu CuH4
2025-04-29 17:59:51
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006751639).
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 agm006751639
data_agm006751639
_cell_length_a 3.34904
_cell_length_b 3.34904
_cell_length_c 8.97429
_cell_angle_alpha 79.67825
_cell_angle_beta 100.32175
_cell_angle_gamma 88.56339
_cell_volume 97.25460
_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 0.55332 0.55332 0.50000 1.00000
Cd1 Cd 0.27444 0.27444 0.00000 1.00000
Cu1 Cu 0.12912 0.90541 0.69992 1.00000
Cu2 Cu 0.90541 0.12912 0.30008 1.00000
H1 H 0.41356 0.08329 0.37953 1.00000
H2 H 0.91374 0.91374 0.50000 1.00000
H3 H 0.08329 0.41356 0.62047 1.00000
H4 H 0.22046 0.82942 0.89066 1.00000
H5 H 0.82335 0.60387 0.33401 1.00000
H6 H 0.82942 0.22046 0.10934 1.00000
H7 H 0.60387 0.82335 0.66599 1.00000
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