La6Co8Ru
Alexandria ALEXAlex-ID: agm072145249 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C8_268_spg2
LaCo La7Ru3 Co
2024-10-05 20:59:30.172725
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072145249).
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 agm072145249
data_agm072145249
_cell_length_a 4.47989
_cell_length_b 8.76742
_cell_length_c 8.75659
_cell_angle_alpha 108.90532
_cell_angle_beta 104.86624
_cell_angle_gamma 104.84928
_cell_volume 292.02140
_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
La1 La 0.91090 0.15075 0.87827 1.00000
La2 La 0.90774 0.81587 0.20792 1.00000
La3 La 0.91011 0.48614 0.54201 1.00000
La4 La 0.53068 0.10668 0.16287 1.00000
La5 La 0.53380 0.44164 0.83336 1.00000
La6 La 0.53134 0.77114 0.49926 1.00000
Co1 Co 0.22106 0.04391 0.60559 1.00000
Co2 Co 0.22077 0.21352 0.43564 1.00000
Co3 Co 0.72130 0.79553 0.85406 1.00000
Co4 Co 0.22090 0.71303 0.93607 1.00000
Co5 Co 0.22132 0.87691 0.77250 1.00000
Co6 Co 0.72012 0.46192 0.18721 1.00000
Co7 Co 0.22050 0.54437 0.10520 1.00000
Co8 Co 0.22012 0.38049 0.26877 1.00000
Ru1 Ru 0.72085 0.12864 0.52057 1.00000
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