YCo(H4Pd)2
Alexandria ALEXAlex-ID: agm007157445 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_757_spg148
YCoH6 HPd
2024-03-26 07:59:52.563702
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007157445).
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 agm007157445
data_agm007157445
_cell_length_a 4.31629
_cell_length_b 4.72738
_cell_length_c 6.02312
_cell_angle_alpha 64.52959
_cell_angle_beta 69.92274
_cell_angle_gamma 64.51229
_cell_volume 98.25067
_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 0.49828 0.53043 0.48901 1.00000
Co1 Co 0.00718 0.01053 0.98715 1.00000
H1 H 0.17119 0.24979 0.46451 1.00000
H2 H 0.15583 0.96894 0.21402 1.00000
H3 H 0.84658 0.76875 0.52814 1.00000
H4 H 0.68830 0.08959 0.21452 1.00000
H5 H 0.31557 0.75489 0.84611 1.00000
H6 H 0.86937 0.68690 0.11799 1.00000
H7 H 0.14095 0.32630 0.86592 1.00000
H8 H 0.78926 0.08808 0.78332 1.00000
Pd1 Pd 0.27134 0.31925 0.15638 1.00000
Pd2 Pd 0.74615 0.70657 0.83291 1.00000
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