Mg2NpH8Au
Alexandria ALEXAlex-ID: agm007242250 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_647_spg2
MgNpH6 MgH6 MgAu NpH3
2024-08-14 08:40:36.409989
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007242250).
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 agm007242250
data_agm007242250
_cell_length_a 5.09451
_cell_length_b 5.09451
_cell_length_c 6.67634
_cell_angle_alpha 81.40353
_cell_angle_beta 81.40353
_cell_angle_gamma 45.09600
_cell_volume 121.11302
_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
Mg1 Mg 0.70686 0.70686 0.19246 1.00000
Mg2 Mg 0.29314 0.29314 0.80754 1.00000
Np1 Np 0.00000 0.00000 0.50000 1.00000
H1 H 0.79124 0.79124 0.68666 1.00000
H2 H 0.30139 0.73503 0.79816 1.00000
H3 H 0.73503 0.30139 0.79816 1.00000
H4 H 0.20876 0.20876 0.31334 1.00000
H5 H 0.69861 0.26497 0.20184 1.00000
H6 H 0.26497 0.69861 0.20184 1.00000
H7 H 0.61184 0.61184 0.46602 1.00000
H8 H 0.38816 0.38816 0.53398 1.00000
Au1 Au 0.00000 0.00000 0.00000 1.00000
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