CdCoH4Ru
Alexandria ALEXAlex-ID: agm007656729 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD4_544_spg12
Co3H2 CdH4 Cd Ru
2024-03-15 17:45:48.780395
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007656729).
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 agm007656729
data_agm007656729
_cell_length_a 5.03878
_cell_length_b 5.03878
_cell_length_c 6.04158
_cell_angle_alpha 71.91716
_cell_angle_beta 71.91716
_cell_angle_gamma 53.91065
_cell_volume 116.19757
_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
Cd1 Cd 0.00135 0.00135 0.75940 1.00000
Cd2 Cd 0.99865 0.99865 0.24060 1.00000
Co1 Co 0.28665 0.28665 0.37070 1.00000
Co2 Co 0.71335 0.71335 0.62930 1.00000
H1 H 0.36516 0.36516 0.08057 1.00000
H2 H 0.63484 0.63484 0.91943 1.00000
H3 H 0.12677 0.53513 0.58683 1.00000
H4 H 0.49876 0.49876 0.72882 1.00000
H5 H 0.46487 0.87323 0.41317 1.00000
H6 H 0.53513 0.12677 0.58683 1.00000
H7 H 0.50124 0.50124 0.27118 1.00000
H8 H 0.87323 0.46487 0.41317 1.00000
Ru1 Ru 0.70503 0.70503 0.14394 1.00000
Ru2 Ru 0.29497 0.29497 0.85606 1.00000
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