VCd(H4Pd)2
Alexandria ALEXAlex-ID: agm007169633 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_310_spg2
H4Pd CdPd VH2 H2
2024-01-28 18:42:04.898905
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007169633).
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 agm007169633
data_agm007169633
_cell_length_a 4.88090
_cell_length_b 5.35575
_cell_length_c 4.69551
_cell_angle_alpha 73.01559
_cell_angle_beta 89.64005
_cell_angle_gamma 100.80333
_cell_volume 115.06691
_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 0.50000 0.50000 1.00000
Cd1 Cd 0.00000 0.00000 0.00000 1.00000
H1 H 0.68063 0.11059 0.35031 1.00000
H2 H 0.68977 0.56157 0.27298 1.00000
H3 H 0.31937 0.88941 0.64969 1.00000
H4 H 0.85848 0.73384 0.66257 1.00000
H5 H 0.14152 0.26616 0.33743 1.00000
H6 H 0.74751 0.23334 0.77212 1.00000
H7 H 0.25249 0.76666 0.22788 1.00000
H8 H 0.31023 0.43843 0.72702 1.00000
Pd1 Pd 0.44827 0.23610 0.53818 1.00000
Pd2 Pd 0.55173 0.76390 0.46182 1.00000
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