NaPm(H3Au)2
Alexandria ALEXAlex-ID: agm007690911 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_17_spg2
PmH3 PmAu3 NaH6Au NaAu2
2025-05-27 04:03:15
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007690911).
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 agm007690911
data_agm007690911
_cell_length_a 4.61489
_cell_length_b 4.90687
_cell_length_c 7.37134
_cell_angle_alpha 66.07070
_cell_angle_beta 70.46516
_cell_angle_gamma 61.39390
_cell_volume 131.89009
_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 0.49011 0.53470 0.45971 1.00000
Pm1 Pm 0.95268 0.04590 0.99132 1.00000
H1 H 0.45027 0.56732 0.92566 1.00000
H2 H 0.01491 0.44304 0.66749 1.00000
H3 H 0.41090 0.95244 0.13592 1.00000
H4 H 0.63959 0.12591 0.29960 1.00000
H5 H 0.97598 0.61462 0.29460 1.00000
H6 H 0.56686 0.14304 0.77761 1.00000
Au1 Au 0.76202 0.78141 0.73693 1.00000
Au2 Au 0.23668 0.29162 0.21116 1.00000
Get direct link