Na3Co2H9Pd
Alexandria ALEXAlex-ID: agm006717536 · Space group: P-3m1 (#164)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D9_0_spg164
Na3Co2H9 Co2H NaH3Pd Na3CoH6
2024-02-25 05:37:35
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006717536).
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 agm006717536
data_agm006717536
_cell_length_a 4.85478
_cell_length_b 4.85478
_cell_length_c 5.95979
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 120.00000
_cell_volume 121.64675
_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
Na1 Na 0.33333 0.66667 0.17000 1.00000
Na2 Na 0.00000 0.00000 0.50000 1.00000
Na3 Na 0.66667 0.33333 0.83000 1.00000
Co1 Co 0.33333 0.66667 0.65631 1.00000
Co2 Co 0.66667 0.33333 0.34369 1.00000
H1 H 0.81845 0.18155 0.18004 1.00000
H2 H 0.81845 0.63690 0.18004 1.00000
H3 H 0.36310 0.18155 0.18004 1.00000
H4 H 0.63690 0.81845 0.81996 1.00000
H5 H 0.18155 0.36310 0.81996 1.00000
H6 H 0.18155 0.81845 0.81996 1.00000
H7 H 0.50000 0.00000 0.50000 1.00000
H8 H 0.00000 0.50000 0.50000 1.00000
H9 H 0.50000 0.50000 0.50000 1.00000
Pd1 Pd 0.00000 0.00000 0.00000 1.00000
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