Np3In8Ru3
Alexandria ALEXAlex-ID: agm008386014 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B3C8_52_spg12
Np2Ru In3Ru Np
2024-03-18 05:24:18.560059
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008386014).
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 agm008386014
data_agm008386014
_cell_length_a 8.53917
_cell_length_b 8.53917
_cell_length_c 10.69020
_cell_angle_alpha 51.08203
_cell_angle_beta 51.08203
_cell_angle_gamma 31.35648
_cell_volume 307.38187
_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 0.75244 0.75244 0.75676 1.00000
Np2 Np 0.24756 0.24756 0.24324 1.00000
Np3 Np 0.00000 0.00000 0.50000 1.00000
In1 In 0.85299 0.85299 0.34149 1.00000
In2 In 0.14701 0.14701 0.65851 1.00000
In3 In 0.15969 0.15969 0.04515 1.00000
In4 In 0.84031 0.84031 0.95485 1.00000
In5 In 0.48428 0.48428 0.87571 1.00000
In6 In 0.51572 0.51572 0.12429 1.00000
In7 In 0.61988 0.61988 0.51605 1.00000
In8 In 0.38012 0.38012 0.48395 1.00000
Ru1 Ru 0.00000 0.00000 0.00000 1.00000
Ru2 Ru 0.37874 0.37874 0.74242 1.00000
Ru3 Ru 0.62126 0.62126 0.25758 1.00000
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