Ce3(InRu)2
Alexandria ALEXAlex-ID: agm003237232 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C3_75_spg62
Ce3(InRu)2
2021-12-23 08:24:43.287778
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003237232).
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 agm003237232
data_agm003237232
_cell_length_a 4.94718
_cell_length_b 7.67503
_cell_length_c 17.45218
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 662.65517
_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
Ce1 Ce 0.25000 0.27522 0.17399 1.00000
Ce2 Ce 0.75000 0.72478 0.82601 1.00000
Ce3 Ce 0.75000 0.77522 0.32601 1.00000
Ce4 Ce 0.25000 0.22478 0.67399 1.00000
Ce5 Ce 0.25000 0.48793 0.92547 1.00000
Ce6 Ce 0.75000 0.51207 0.07453 1.00000
Ce7 Ce 0.75000 0.98793 0.57453 1.00000
Ce8 Ce 0.25000 0.01207 0.42547 1.00000
Ce9 Ce 0.25000 0.03132 0.86279 1.00000
Ce10 Ce 0.75000 0.96868 0.13721 1.00000
Ce11 Ce 0.75000 0.53132 0.63721 1.00000
Ce12 Ce 0.25000 0.46868 0.36279 1.00000
In1 In 0.75000 0.28735 0.80124 1.00000
In2 In 0.75000 0.21265 0.30124 1.00000
In3 In 0.25000 0.78735 0.69876 1.00000
In4 In 0.25000 0.83991 0.03003 1.00000
In5 In 0.75000 0.16009 0.96997 1.00000
In6 In 0.75000 0.33991 0.46997 1.00000
In7 In 0.25000 0.66009 0.53003 1.00000
In8 In 0.25000 0.71265 0.19876 1.00000
Ru1 Ru 0.75000 0.52542 0.20733 1.00000
Ru2 Ru 0.75000 0.97458 0.70733 1.00000
Ru3 Ru 0.25000 0.02542 0.29267 1.00000
Ru4 Ru 0.25000 0.27717 0.54528 1.00000
Ru5 Ru 0.75000 0.72283 0.45472 1.00000
Ru6 Ru 0.75000 0.77717 0.95472 1.00000
Ru7 Ru 0.25000 0.22283 0.04528 1.00000
Ru8 Ru 0.25000 0.47458 0.79267 1.00000
