Ba2NpH8Au
Alexandria ALEXAlex-ID: agm007266944 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_2017_spg8
Ba2(H2Au)3 BaH2 H2 NpH3
2025-05-28 04:42:32
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007266944).
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 agm007266944
data_agm007266944
_cell_length_a 3.98851
_cell_length_b 7.26487
_cell_length_c 6.40605
_cell_angle_alpha 96.38626
_cell_angle_beta 89.94276
_cell_angle_gamma 105.93664
_cell_volume 177.29502
_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
Ba1 Ba 0.66030 0.23636 0.05248 1.00000
Ba2 Ba 0.34649 0.61069 0.61552 1.00000
Np1 Np 0.08522 0.08645 0.51935 1.00000
H1 H 0.18812 0.29192 0.81529 1.00000
H2 H 0.82844 0.57820 0.91727 1.00000
H3 H 0.69388 0.30347 0.56699 1.00000
H4 H 0.05322 0.02117 0.16146 1.00000
H5 H 0.20217 0.32040 0.31534 1.00000
H6 H 0.54899 0.01339 0.35957 1.00000
H7 H 0.54029 0.99693 0.69538 1.00000
H8 H 0.92157 0.76021 0.40308 1.00000
Au1 Au 0.93127 0.78078 0.07828 1.00000
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