Na2HfH8Pd
Alexandria ALEXAlex-ID: agm007437232 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_390_spg2
Na2HfH7 HfPd3 Hf4H15 NaH3Pd
2024-08-13 17:37:24.136636
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007437232).
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 agm007437232
data_agm007437232
_cell_length_a 6.26818
_cell_length_b 6.26818
_cell_length_c 5.69592
_cell_angle_alpha 74.57989
_cell_angle_beta 74.57989
_cell_angle_gamma 37.29633
_cell_volume 130.15566
_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 0.32120 0.32120 0.74788 1.00000
Na2 Na 0.67880 0.67880 0.25212 1.00000
Hf1 Hf 0.00000 0.00000 0.00000 1.00000
H1 H 0.21197 0.68080 0.33392 1.00000
H2 H 0.15867 0.15867 0.04248 1.00000
H3 H 0.68080 0.21197 0.33392 1.00000
H4 H 0.78803 0.31920 0.66608 1.00000
H5 H 0.84133 0.84133 0.95752 1.00000
H6 H 0.31920 0.78803 0.66608 1.00000
H7 H 0.42424 0.42424 0.03358 1.00000
H8 H 0.57576 0.57576 0.96642 1.00000
Pd1 Pd 0.00000 0.00000 0.50000 1.00000
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