Cr2Ru
Alexandria ALEXAlex-ID: agm005473852 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2_4_spg12
Ru Cr
2023-03-20 15:42:41.945971
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005473852).
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
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# CIF generated by HEAS from Alexandria entry agm005473852
data_agm005473852
_cell_length_a 4.97744
_cell_length_b 4.97744
_cell_length_c 5.80656
_cell_angle_alpha 74.25404
_cell_angle_beta 74.25404
_cell_angle_gamma 33.27830
_cell_volume 75.70292
_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
Cr1 Cr 0.98751 0.98751 0.03945 1.00000
Cr2 Cr 0.61082 0.61082 0.22111 1.00000
Cr3 Cr 0.29805 0.29805 0.38053 1.00000
Cr4 Cr 0.66594 0.66594 0.68634 1.00000
Ru1 Ru 0.97480 0.97480 0.56701 1.00000
Ru2 Ru 0.29621 0.29621 0.93889 1.00000
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