Ru3PtW2
Alexandria ALEXAlex-ID: agm005661365 · Space group: I4_1/amd (#141)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_620_spg227
RuPtW RuPtW2 Ru3W
2023-08-24 16:44:05.770157
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005661365).
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 agm005661365
data_agm005661365
_cell_length_a 8.17389
_cell_length_b 8.17389
_cell_length_c 8.28982
_cell_angle_alpha 119.53845
_cell_angle_beta 119.53845
_cell_angle_gamma 90.00000
_cell_volume 397.04209
_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 0.28409 0.71591 0.00000 1.00000
Ru2 Ru 0.12500 0.87500 0.25000 1.00000
Ru3 Ru 0.12500 0.37500 0.25000 1.00000
Ru4 Ru 0.71591 0.71591 0.00000 1.00000
Ru5 Ru 0.71591 0.28409 1.00000 1.00000
Ru6 Ru 0.96591 0.46591 0.50000 1.00000
Ru7 Ru 0.62500 0.87500 0.75000 1.00000
Ru8 Ru 0.12500 0.87500 0.75000 1.00000
Ru9 Ru 0.53409 0.03409 0.50000 1.00000
Ru10 Ru 0.53409 0.46591 0.50000 1.00000
Ru11 Ru 0.28409 0.28409 1.00000 1.00000
Ru12 Ru 0.96591 0.03409 0.50000 1.00000
Pt1 Pt 0.28194 0.28194 0.56389 1.00000
Pt2 Pt 0.71806 0.71806 0.43611 1.00000
Pt3 Pt 0.53194 0.03194 0.06389 1.00000
Pt4 Pt 0.96806 0.46806 0.93611 1.00000
W1 W 0.90834 0.71831 0.81668 1.00000
W2 W 0.34166 0.65162 0.68332 1.00000
W3 W 0.28169 0.09166 0.18332 1.00000
W4 W 0.34838 0.65834 0.31668 1.00000
W5 W 0.90162 0.09166 0.18332 1.00000
W6 W 0.96831 0.65834 0.31668 1.00000
W7 W 0.34166 0.03169 0.68332 1.00000
W8 W 0.90834 0.09838 0.81668 1.00000
