Ba2In3Ru2
Alexandria ALEXAlex-ID: agm002236044 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C3_21_spg12
Ba3In5 BaIn Ru
2018-06-30 19:32:04
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002236044).
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 agm002236044
data_agm002236044
_cell_length_a 4.36881
_cell_length_b 6.25728
_cell_length_c 7.94689
_cell_angle_alpha 71.26830
_cell_angle_beta 74.03373
_cell_angle_gamma 69.58093
_cell_volume 189.52840
_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
Ru1 Ru 0.11728 0.97138 0.79387 1.00000
Ru2 Ru 0.88272 0.02862 0.20613 1.00000
Ba1 Ba 0.14171 0.48482 0.23254 1.00000
Ba2 Ba 0.85829 0.51518 0.76746 1.00000
In1 In 0.50000 0.00000 0.00000 1.00000
In2 In 0.34927 0.86257 0.43906 1.00000
In3 In 0.65073 0.13743 0.56094 1.00000
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