Si3Ru2
Alexandria ALEXAlex-ID: agm005226832 · Space group: Pbcn (#60)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3_4418_spg60
Si3Ru2
2024-10-08 22:26:31
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005226832).
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 agm005226832
data_agm005226832
_cell_length_a 5.29526
_cell_length_b 7.66451
_cell_length_c 14.15182
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 574.35935
_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
Si1 Si 0.04241 0.75098 0.63435 1.00000
Si2 Si 0.54241 0.74902 0.86565 1.00000
Si3 Si 0.55441 0.62095 0.62984 1.00000
Si4 Si 0.05441 0.37905 0.62984 1.00000
Si5 Si 0.95759 0.74902 0.13435 1.00000
Si6 Si 0.45759 0.75098 0.36565 1.00000
Si7 Si 0.88131 0.94204 0.26721 1.00000
Si8 Si 0.44559 0.87905 0.12984 1.00000
Si9 Si 0.94559 0.62095 0.37016 1.00000
Si10 Si 0.44559 0.37905 0.37016 1.00000
Si11 Si 0.61869 0.44204 0.76721 1.00000
Si12 Si 0.04241 0.25098 0.86565 1.00000
Si13 Si 0.38131 0.05796 0.26721 1.00000
Si14 Si 0.94559 0.12095 0.12984 1.00000
Si15 Si 0.88131 0.44204 0.23279 1.00000
Si16 Si 0.95759 0.24902 0.36565 1.00000
Si17 Si 0.38131 0.55796 0.23279 1.00000
Si18 Si 0.11869 0.05796 0.73279 1.00000
Si19 Si 0.11869 0.55796 0.76721 1.00000
Si20 Si 0.61869 0.94204 0.73279 1.00000
Si21 Si 0.55441 0.12095 0.87016 1.00000
Si22 Si 0.05441 0.87905 0.87016 1.00000
Si23 Si 0.54241 0.24902 0.63435 1.00000
Si24 Si 0.45759 0.25098 0.13435 1.00000
Ru1 Ru 0.25000 0.61343 0.50000 1.00000
Ru2 Ru 0.75000 0.88657 0.00000 1.00000
Ru3 Ru 0.25000 0.24309 0.50000 1.00000
Ru4 Ru 0.88332 0.55606 0.90878 1.00000
Ru5 Ru 0.61668 0.05606 0.40878 1.00000
Ru6 Ru 0.75000 0.75691 0.50000 1.00000
Ru7 Ru 0.11668 0.44394 0.09122 1.00000
Ru8 Ru 0.75000 0.25691 0.00000 1.00000
Ru9 Ru 0.88332 0.05606 0.59122 1.00000
Ru10 Ru 0.25000 0.74309 0.00000 1.00000
Ru11 Ru 0.61668 0.55606 0.09122 1.00000
Ru12 Ru 0.25000 0.11343 0.00000 1.00000
Ru13 Ru 0.38332 0.94394 0.59122 1.00000
Ru14 Ru 0.11668 0.94394 0.40878 1.00000
Ru15 Ru 0.75000 0.38657 0.50000 1.00000
Ru16 Ru 0.38332 0.44394 0.90878 1.00000
