V5(CdH)2
Alexandria ALEXAlex-ID: agm007355398 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_772_spg12
V2H V Cd
2024-07-09 16:51:55.448806
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007355398).
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 agm007355398
data_agm007355398
_cell_length_a 5.32695
_cell_length_b 5.34163
_cell_length_c 4.49800
_cell_angle_alpha 89.90838
_cell_angle_beta 116.52885
_cell_angle_gamma 94.45953
_cell_volume 114.08739
_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 0.59846 0.10448 0.27994 1.00000
V2 V 0.40154 0.89552 0.72006 1.00000
V3 V 0.89134 0.74154 0.44167 1.00000
V4 V 0.10866 0.25846 0.55833 1.00000
V5 V 0.00000 0.00000 0.00000 1.00000
Cd1 Cd 0.70384 0.43559 0.84963 1.00000
Cd2 Cd 0.29616 0.56441 0.15037 1.00000
H1 H 0.69509 0.89610 0.61693 1.00000
H2 H 0.30491 0.10390 0.38307 1.00000
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