Ca4Np3Ru4
Alexandria ALEXAlex-ID: agm010048331 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C4_367_spg2
Np2Ru Ca Ca2NpRu2
2024-04-12 01:14:49.873899
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010048331).
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 agm010048331
data_agm010048331
_cell_length_a 3.25958
_cell_length_b 9.95073
_cell_length_c 8.11727
_cell_angle_alpha 79.92808
_cell_angle_beta 78.41196
_cell_angle_gamma 80.51545
_cell_volume 251.63961
_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
Ca1 Ca 0.45242 0.40633 0.68816 1.00000
Ca2 Ca 0.20190 0.68788 0.90680 1.00000
Ca3 Ca 0.54758 0.59367 0.31184 1.00000
Ca4 Ca 0.79810 0.31212 0.09320 1.00000
Np1 Np 0.28729 0.89818 0.52750 1.00000
Np2 Np 0.71271 0.10182 0.47250 1.00000
Np3 Np 0.50000 0.00000 0.00000 1.00000
Ru1 Ru 0.14153 0.30682 0.41045 1.00000
Ru2 Ru 0.85847 0.69318 0.58955 1.00000
Ru3 Ru 0.96245 0.87092 0.20430 1.00000
Ru4 Ru 0.03755 0.12908 0.79570 1.00000
Get direct link