Mg10NpAg2
Alexandria ALEXAlex-ID: agm017674908 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C10_51_spg63
Mg2Ag Mg Np
2025-02-02 09:22:15
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017674908).
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 agm017674908
data_agm017674908
_cell_length_a 7.67561
_cell_length_b 7.67561
_cell_length_c 9.87325
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 97.71854
_cell_volume 576.41246
_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 0.40120 0.12328 0.75000 1.00000
Mg2 Mg 0.59880 0.87672 0.25000 1.00000
Mg3 Mg 0.87672 0.59880 0.75000 1.00000
Mg4 Mg 0.12328 0.40120 0.25000 1.00000
Mg5 Mg 0.53359 0.76836 0.75000 1.00000
Mg6 Mg 0.46641 0.23164 0.25000 1.00000
Mg7 Mg 0.23164 0.46641 0.75000 1.00000
Mg8 Mg 0.76836 0.53359 0.25000 1.00000
Mg9 Mg 0.83988 0.16012 0.40395 1.00000
Mg10 Mg 0.16012 0.83988 0.90395 1.00000
Mg11 Mg 0.83988 0.16012 0.09605 1.00000
Mg12 Mg 0.16012 0.83988 0.59605 1.00000
Mg13 Mg 0.61849 0.38151 0.93256 1.00000
Mg14 Mg 0.38151 0.61849 0.43256 1.00000
Mg15 Mg 0.61849 0.38151 0.56744 1.00000
Mg16 Mg 0.38151 0.61849 0.06744 1.00000
Mg17 Mg 0.78494 0.78494 0.00000 1.00000
Mg18 Mg 0.21506 0.21506 0.50000 1.00000
Mg19 Mg 0.21506 0.21506 0.00000 1.00000
Mg20 Mg 0.78494 0.78494 0.50000 1.00000
Np1 Np 0.88187 0.11813 0.75000 1.00000
Np2 Np 0.11813 0.88187 0.25000 1.00000
Ag1 Ag 0.50000 0.00000 0.00000 1.00000
Ag2 Ag 0.50000 0.00000 0.50000 1.00000
Ag3 Ag 0.00000 0.50000 0.50000 1.00000
Ag4 Ag 0.00000 0.50000 0.00000 1.00000
