Ru2W3
Alexandria ALEXAlex-ID: agm005229915 · Space group: Cmm2 (#35)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3_122_spg35
Ru3W W
2023-05-15 08:27:05.329209
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005229915).
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 agm005229915
data_agm005229915
_cell_length_a 9.63509
_cell_length_b 9.63509
_cell_length_c 4.97079
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.14472
_cell_volume 461.46164
_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 0.50000 0.50000 0.50165 1.00000
Ru2 Ru 0.00000 0.00000 0.00520 1.00000
Ru3 Ru 0.23628 0.43240 0.50235 1.00000
Ru4 Ru 0.76372 0.56760 0.50235 1.00000
Ru5 Ru 0.73651 0.06999 0.00478 1.00000
Ru6 Ru 0.26349 0.93001 0.00478 1.00000
Ru7 Ru 0.43240 0.23628 0.50235 1.00000
Ru8 Ru 0.56760 0.76372 0.50235 1.00000
Ru9 Ru 0.06999 0.73651 0.00478 1.00000
Ru10 Ru 0.93001 0.26349 0.00478 1.00000
Ru11 Ru 0.68704 0.31296 0.73989 1.00000
Ru12 Ru 0.31296 0.68704 0.73989 1.00000
W1 W 0.89697 0.10303 0.50542 1.00000
W2 W 0.10303 0.89697 0.50542 1.00000
W3 W 0.39584 0.39584 0.99929 1.00000
W4 W 0.60416 0.60416 0.99929 1.00000
W5 W 0.96028 0.37132 0.49966 1.00000
W6 W 0.03972 0.62868 0.49966 1.00000
W7 W 0.46360 0.13100 0.99685 1.00000
W8 W 0.53640 0.86900 0.99685 1.00000
W9 W 0.37132 0.96028 0.49966 1.00000
W10 W 0.62868 0.03972 0.49966 1.00000
W11 W 0.13100 0.46360 0.99685 1.00000
W12 W 0.86900 0.53640 0.99685 1.00000
W13 W 0.18090 0.18090 0.25269 1.00000
W14 W 0.81910 0.81910 0.25269 1.00000
W15 W 0.32539 0.67461 0.24120 1.00000
W16 W 0.67461 0.32539 0.24120 1.00000
W17 W 0.81990 0.81990 0.75079 1.00000
W18 W 0.18010 0.18010 0.75079 1.00000
