Th6Ru5Pt
Alexandria ALEXAlex-ID: agm077774656 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_496_spg1
Th6Ru5Pt
2025-01-10 03:40:25
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm077774656).
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 agm077774656
data_agm077774656
_cell_length_a 6.11558
_cell_length_b 12.16567
_cell_length_c 7.84086
_cell_angle_alpha 90.00000
_cell_angle_beta 109.03733
_cell_angle_gamma 90.00000
_cell_volume 551.45474
_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
Th1 Th 0.72758 0.91835 0.93966 1.00000
Th2 Th 0.72273 0.57625 0.42494 1.00000
Th3 Th 0.72273 0.92375 0.42494 1.00000
Th4 Th 0.72758 0.58165 0.93966 1.00000
Th5 Th 0.27727 0.42375 0.57506 1.00000
Th6 Th 0.27242 0.08165 0.06034 1.00000
Th7 Th 0.27242 0.41835 0.06034 1.00000
Th8 Th 0.27727 0.07625 0.57506 1.00000
Th9 Th 0.71708 0.25000 0.92621 1.00000
Th10 Th 0.72750 0.25000 0.43639 1.00000
Th11 Th 0.27250 0.75000 0.56361 1.00000
Th12 Th 0.28292 0.75000 0.07379 1.00000
Ru1 Ru 0.80631 0.08639 0.20128 1.00000
Ru2 Ru 0.80631 0.41361 0.20128 1.00000
Ru3 Ru 0.19369 0.58639 0.79872 1.00000
Ru4 Ru 0.19369 0.91361 0.79872 1.00000
Ru5 Ru 0.18946 0.91883 0.29616 1.00000
Ru6 Ru 0.18946 0.58117 0.29616 1.00000
Ru7 Ru 0.81054 0.41883 0.70384 1.00000
Ru8 Ru 0.81054 0.08117 0.70384 1.00000
Ru9 Ru 0.81160 0.75000 0.20753 1.00000
Ru10 Ru 0.18840 0.25000 0.79247 1.00000
Pt1 Pt 0.18341 0.25000 0.29901 1.00000
Pt2 Pt 0.81659 0.75000 0.70099 1.00000
