Np2GaRh3
Alexandria ALEXAlex-ID: agm005684242 · Space group: P6_3/mmc (#194)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_9_spg194
Np2GaRh3
2023-08-18 01:33:44.155410
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005684242).
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 agm005684242
data_agm005684242
_cell_length_a 5.58730
_cell_length_b 5.58730
_cell_length_c 7.77719
_cell_angle_alpha 89.99965
_cell_angle_beta 90.00006
_cell_angle_gamma 119.99999
_cell_volume 210.26030
_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
Np1 Np 0.66667 0.33333 0.42611 1.00000
Np2 Np 0.33333 0.66666 0.57389 1.00000
Np3 Np 0.33333 0.66667 0.92611 1.00000
Np4 Np 0.66667 0.33333 0.07389 1.00000
Ga1 Ga 0.00000 0.00000 0.50000 1.00000
Ga2 Ga 0.00000 0.00000 0.00000 1.00000
Rh1 Rh 0.17142 0.34284 0.25000 1.00000
Rh2 Rh 0.34284 0.17142 0.75000 1.00000
Rh3 Rh 0.82858 0.65716 0.75000 1.00000
Rh4 Rh 0.17142 0.82858 0.25000 1.00000
Rh5 Rh 0.82858 0.17142 0.75000 1.00000
Rh6 Rh 0.65716 0.82858 0.25000 1.00000
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