YCo2H8Pd
Alexandria ALEXAlex-ID: agm007406995 · Space group: Pm (#6)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_404_spg2
YCoH6 CoH HPd
2024-03-26 07:56:19.319751
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007406995).
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 agm007406995
data_agm007406995
_cell_length_a 4.81740
_cell_length_b 4.91131
_cell_length_c 5.11949
_cell_angle_alpha 90.56047
_cell_angle_beta 90.00158
_cell_angle_gamma 125.83536
_cell_volume 98.19000
_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
Y1 Y 0.59067 0.31499 0.65415 1.00000
Co1 Co 0.27141 0.65235 0.90829 1.00000
Co2 Co 0.27012 0.64951 0.40371 1.00000
H1 H 0.53537 0.82259 0.65747 1.00000
H2 H 0.09286 0.84625 0.87327 1.00000
H3 H 0.09413 0.38399 0.65439 1.00000
H4 H 0.41398 0.44898 0.97645 1.00000
H5 H 0.08881 0.84005 0.44413 1.00000
H6 H 0.99192 0.44530 0.15307 1.00000
H7 H 0.51529 0.90742 0.15973 1.00000
H8 H 0.41295 0.44601 0.33207 1.00000
Pd1 Pd 0.81696 0.73475 0.15725 1.00000
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