Y4Th(SiRu)10
Alexandria ALEXAlex-ID: agm021114101 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C10D10_0_spg139
Y(SiRu)2 Th(SiRu)2
2025-02-12 02:10:39.294513
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm021114101).
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 agm021114101
data_agm021114101
_cell_length_a 24.28351
_cell_length_b 24.28351
_cell_length_c 24.28351
_cell_angle_alpha 170.11230
_cell_angle_beta 170.11230
_cell_angle_gamma 14.00078
_cell_volume 422.23261
_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
Y1 Y 0.60092 0.60092 0.00000 1.00000
Y2 Y 0.20020 0.20020 0.00000 1.00000
Y3 Y 0.79980 0.79980 0.00000 1.00000
Y4 Y 0.39908 0.39908 0.00000 1.00000
Th1 Th 0.00000 0.00000 0.00000 1.00000
Si1 Si 0.52682 0.52682 0.00000 1.00000
Si2 Si 0.12698 0.12698 0.00000 1.00000
Si3 Si 0.72639 0.72639 0.00000 1.00000
Si4 Si 0.32581 0.32581 0.00000 1.00000
Si5 Si 0.92526 0.92526 0.00000 1.00000
Si6 Si 0.07474 0.07474 0.00000 1.00000
Si7 Si 0.67419 0.67419 0.00000 1.00000
Si8 Si 0.27361 0.27361 0.00000 1.00000
Si9 Si 0.87302 0.87302 0.00000 1.00000
Si10 Si 0.47318 0.47318 0.00000 1.00000
Ru1 Ru 0.55069 0.05069 0.50000 1.00000
Ru2 Ru 0.15054 0.65054 0.50000 1.00000
Ru3 Ru 0.75000 0.25000 0.50000 1.00000
Ru4 Ru 0.34946 0.84946 0.50000 1.00000
Ru5 Ru 0.94931 0.44931 0.50000 1.00000
Ru6 Ru 0.05069 0.55069 0.50000 1.00000
Ru7 Ru 0.65054 0.15054 0.50000 1.00000
Ru8 Ru 0.25000 0.75000 0.50000 1.00000
Ru9 Ru 0.84946 0.34946 0.50000 1.00000
Ru10 Ru 0.44931 0.94931 0.50000 1.00000
