Np3(CoRu)2
Alexandria ALEXAlex-ID: agm010036253 · Space group: I2_13 (#199)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C3_117_spg199
Np2Ru NpCo NpRu3
2024-06-24 11:20:24.829078
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010036253).
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 agm010036253
data_agm010036253
_cell_length_a 6.86202
_cell_length_b 6.86202
_cell_length_c 7.92455
_cell_angle_alpha 54.81753
_cell_angle_beta 54.81753
_cell_angle_gamma 70.61628
_cell_volume 249.26693
_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 0.75018 0.74991 0.11247 1.00000
Np2 Np 0.25009 0.24982 0.88753 1.00000
Np3 Np 0.13754 0.63746 0.36308 1.00000
Np4 Np 0.36254 0.86246 0.63692 1.00000
Np5 Np 0.61244 0.38756 0.00000 1.00000
Np6 Np 0.88764 0.11236 0.50000 1.00000
Co1 Co 0.15944 0.50091 0.09020 1.00000
Co2 Co 0.34175 0.00077 0.24872 1.00000
Co3 Co 0.99923 0.65825 0.75128 1.00000
Co4 Co 0.49909 0.84056 0.90980 1.00000
Ru1 Ru 0.82850 0.00007 0.25007 1.00000
Ru2 Ru 0.67176 0.50025 0.57822 1.00000
Ru3 Ru 0.99993 0.17150 0.74993 1.00000
Ru4 Ru 0.49975 0.32824 0.42178 1.00000
Get direct link