Mg5Np2O12
Alexandria ALEXAlex-ID: agm005653233 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C12_357_spg12
MgNpO4 MgO8 MgO
2023-06-26 02:37:31.564328
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005653233).
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 agm005653233
data_agm005653233
_cell_length_a 6.09786
_cell_length_b 5.96880
_cell_length_c 8.81623
_cell_angle_alpha 110.57818
_cell_angle_beta 90.00009
_cell_angle_gamma 120.71783
_cell_volume 251.75150
_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 0.30548 0.61097 0.59234 1.00000
Mg2 Mg 0.34057 0.68114 0.28979 1.00000
Mg3 Mg 0.00000 0.00000 0.50000 1.00000
Mg4 Mg 0.65943 0.31886 0.71021 1.00000
Mg5 Mg 0.69452 0.38903 0.40766 1.00000
Np1 Np 0.73596 0.00000 0.00000 1.00000
Np2 Np 0.26404 1.00000 0.00000 1.00000
O1 O 0.98267 0.96534 0.13802 1.00000
O2 O 0.04971 0.60851 0.87500 1.00000
O3 O 0.55879 0.60851 0.87500 1.00000
O4 O 0.10968 0.71423 0.45963 1.00000
O5 O 0.60455 0.71423 0.45963 1.00000
O6 O 0.50587 0.01174 0.80206 1.00000
O7 O 0.49413 0.98826 0.19794 1.00000
O8 O 0.89032 0.28577 0.54037 1.00000
O9 O 0.39545 0.28577 0.54037 1.00000
O10 O 0.95029 0.39149 0.12500 1.00000
O11 O 0.44121 0.39149 0.12500 1.00000
O12 O 0.01733 0.03466 0.86198 1.00000
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