Yb(H6Pd)2
Alexandria ALEXAlex-ID: agm078307983 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C12_324_spg1
H4Pd YbH3Pd H2
2025-06-14 10:15:14
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm078307983).
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 agm078307983
data_agm078307983
_cell_length_a 4.86409
_cell_length_b 5.92930
_cell_length_c 5.13447
_cell_angle_alpha 77.52388
_cell_angle_beta 105.12900
_cell_angle_gamma 117.07283
_cell_volume 126.46867
_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
Yb1 Yb 0.70867 0.15702 0.95436 1.00000
H1 H 0.68954 0.77340 0.90145 1.00000
H2 H 0.23680 0.18174 0.03673 1.00000
H3 H 0.01674 0.48620 0.67235 1.00000
H4 H 0.04417 0.46863 0.24351 1.00000
H5 H 0.00657 0.05726 0.43048 1.00000
H6 H 0.24449 0.79541 0.97853 1.00000
H7 H 0.55531 0.44435 0.62897 1.00000
H8 H 0.67460 0.74699 0.06306 1.00000
H9 H 0.87244 0.46534 0.23924 1.00000
H10 H 0.14396 0.43911 0.74704 1.00000
H11 H 0.18159 0.84738 0.83614 1.00000
H12 H 0.57324 0.05458 0.43352 1.00000
Pd1 Pd 0.38537 0.28134 0.34526 1.00000
Pd2 Pd 0.66652 0.80124 0.48938 1.00000
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