CrOsRu3
Alexandria ALEXAlex-ID: agm005772183 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_5514_spg2
CrOs2Ru5 CrOsRu6 Cr
2023-07-03 16:21:03.202313
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005772183).
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 agm005772183
data_agm005772183
_cell_length_a 7.15034
_cell_length_b 4.68972
_cell_length_c 5.06226
_cell_angle_alpha 117.53864
_cell_angle_beta 95.64656
_cell_angle_gamma 109.00536
_cell_volume 135.89526
_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 0.34906 0.57920 0.24121 1.00000
Cr2 Cr 0.65094 0.82080 0.75878 1.00000
Os1 Os 0.74238 0.78344 0.25374 1.00000
Os2 Os 0.25762 0.61655 0.74626 1.00000
Ru1 Ru 0.05099 0.01973 0.75244 1.00000
Ru2 Ru 0.84720 0.41755 0.74971 1.00000
Ru3 Ru 0.54915 0.18224 0.24754 1.00000
Ru4 Ru 0.45084 0.21774 0.75244 1.00000
Ru5 Ru 0.15279 0.98246 0.25030 1.00000
Ru6 Ru 0.94901 0.38029 0.24759 1.00000
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