Co2H8PdRu
Alexandria ALEXAlex-ID: agm007242889 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_227_spg1
H8Ru3 H4Pd CoH Ru
2024-03-26 07:29:03.083365
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007242889).
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 agm007242889
data_agm007242889
_cell_length_a 4.18040
_cell_length_b 4.83546
_cell_length_c 5.07553
_cell_angle_alpha 89.05255
_cell_angle_beta 114.37281
_cell_angle_gamma 115.65567
_cell_volume 82.58165
_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
Co1 Co 0.30621 0.85924 0.61634 1.00000
Co2 Co 0.79501 0.04394 0.40736 1.00000
H1 H 0.74764 0.18551 0.69007 1.00000
H2 H 0.52085 0.64716 0.80015 1.00000
H3 H 0.06486 0.64768 0.80111 1.00000
H4 H 0.35361 0.71758 0.33368 1.00000
H5 H 0.58023 0.25588 0.22351 1.00000
H6 H 0.03634 0.25543 0.22257 1.00000
H7 H 0.83446 0.71728 0.33305 1.00000
H8 H 0.26672 0.18580 0.69066 1.00000
Pd1 Pd 0.05055 0.95154 0.01185 1.00000
Ru1 Ru 0.55061 0.45156 0.51185 1.00000
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