Mg2NpRh3
Alexandria ALEXAlex-ID: agm033437643 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_6732_spg15
Mg3NpRh4 NpRh
2025-04-14 04:23:40
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm033437643).
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 agm033437643
data_agm033437643
_cell_length_a 7.20281
_cell_length_b 7.20405
_cell_length_c 7.92473
_cell_angle_alpha 90.41746
_cell_angle_beta 89.59162
_cell_angle_gamma 100.99314
_cell_volume 403.64666
_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 0.62849 0.12281 0.74176 1.00000
Mg2 Mg 0.20401 0.03144 0.58593 1.00000
Mg3 Mg 0.79599 0.96856 0.41407 1.00000
Mg4 Mg 0.37151 0.87719 0.25824 1.00000
Mg5 Mg 0.87703 0.37156 0.24176 1.00000
Mg6 Mg 0.96853 0.79605 0.08600 1.00000
Mg7 Mg 0.03147 0.20395 0.91400 1.00000
Mg8 Mg 0.12297 0.62844 0.75824 1.00000
Np1 Np 0.71942 0.54224 0.57853 1.00000
Np2 Np 0.28058 0.45776 0.42147 1.00000
Np3 Np 0.45771 0.28065 0.07841 1.00000
Np4 Np 0.54229 0.71935 0.92159 1.00000
Rh1 Rh 0.95816 0.29180 0.58510 1.00000
Rh2 Rh 0.45970 0.78992 0.58261 1.00000
Rh3 Rh 0.04184 0.70820 0.41490 1.00000
Rh4 Rh 0.54030 0.21008 0.41739 1.00000
Rh5 Rh 0.12874 0.12884 0.24995 1.00000
Rh6 Rh 0.62934 0.62948 0.25006 1.00000
Rh7 Rh 0.70814 0.04194 0.08512 1.00000
Rh8 Rh 0.21000 0.54034 0.08259 1.00000
Rh9 Rh 0.29186 0.95806 0.91488 1.00000
Rh10 Rh 0.79000 0.45966 0.91741 1.00000
Rh11 Rh 0.87126 0.87116 0.75005 1.00000
Rh12 Rh 0.37066 0.37052 0.74994 1.00000
