VCo2H7Pd2
Alexandria ALEXAlex-ID: agm006429318 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D7_184_spg44
VCo4H5 H4Pd VH2 HPd
2024-02-29 14:09:59.625959
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006429318).
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 agm006429318
data_agm006429318
_cell_length_a 7.93808
_cell_length_b 7.93808
_cell_length_c 3.90130
_cell_angle_alpha 75.58468
_cell_angle_beta 75.58468
_cell_angle_gamma 144.22323
_cell_volume 84.18757
_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 0.94998 0.94998 0.08881 1.00000
Co1 Co 0.55296 0.38420 0.08690 1.00000
Co2 Co 0.38420 0.55296 0.08690 1.00000
H1 H 0.06874 0.84638 0.80106 1.00000
H2 H 0.28616 0.67439 0.94187 1.00000
H3 H 0.37199 0.51782 0.68612 1.00000
H4 H 0.84638 0.06874 0.80106 1.00000
H5 H 0.67439 0.28616 0.94187 1.00000
H6 H 0.51782 0.37199 0.68612 1.00000
H7 H 0.87159 0.87159 0.65658 1.00000
Pd1 Pd 0.18120 0.79492 0.11121 1.00000
Pd2 Pd 0.79492 0.18120 0.11121 1.00000
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