In(BRu)2
Alexandria ALEXAlex-ID: agm002199765 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2_172_spg15
BRu B3Ru2 In3Ru
2018-07-09 07:52:09
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002199765).
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 agm002199765
data_agm002199765
_cell_length_a 5.55417
_cell_length_b 5.55418
_cell_length_c 6.21921
_cell_angle_alpha 116.02907
_cell_angle_beta 116.02917
_cell_angle_gamma 101.40680
_cell_volume 135.60476
_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 0.64480 0.11192 0.20449 1.00000
Ru2 Ru 0.88808 0.35521 0.79551 1.00000
Ru3 Ru 0.36192 0.39480 0.70449 1.00000
Ru4 Ru 0.60521 0.63808 0.29551 1.00000
B1 B 0.95451 0.04549 0.50000 1.00000
B2 B 0.57811 0.42189 0.50000 1.00000
B3 B 0.67188 0.32812 1.00000 1.00000
B4 B 0.29549 0.70452 0.00000 1.00000
In1 In 0.24004 0.75996 0.49999 1.00000
In2 In 0.00996 0.99004 1.00000 1.00000
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