Ba2Si2Ru2C
Alexandria ALEXAlex-ID: agm004544667 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D2_15_spg12
BaSiRu Ba(SiRu)2 BaC6
2022-06-22 01:16:44.862434
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004544667).
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 agm004544667
data_agm004544667
_cell_length_a 4.21642
_cell_length_b 6.21246
_cell_length_c 6.93317
_cell_angle_alpha 73.29267
_cell_angle_beta 72.29742
_cell_angle_gamma 70.16260
_cell_volume 159.26509
_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
Ba1 Ba 0.56091 0.19797 0.68021 1.00000
Ba2 Ba 0.43909 0.80203 0.31979 1.00000
Si1 Si 0.20743 0.36967 0.21546 1.00000
Si2 Si 0.79257 0.63033 0.78454 1.00000
Ru1 Ru 0.18298 0.70193 0.93211 1.00000
Ru2 Ru 0.81702 0.29807 0.06789 1.00000
C1 C 0.00000 0.00000 0.00000 1.00000
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