Y5Th5(Ge5Ir2)4
Alexandria ALEXAlex-ID: agm020278902 · Space group: Amm2 (#38)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A5B5C8D20_0_spg38
Y5Th5(Ge5Ir2)4
2024-09-13 17:49:32.965847
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm020278902).
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 agm020278902
data_agm020278902
_cell_length_a 13.11417
_cell_length_b 13.11417
_cell_length_c 4.41568
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 89.99554
_cell_volume 759.41646
_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 0.82647 0.82647 0.50000 1.00000
Y2 Y 0.17330 0.17330 0.50000 1.00000
Y3 Y 0.32779 0.67378 0.50000 1.00000
Y4 Y 0.67378 0.32779 0.50000 1.00000
Y5 Y 0.61325 0.61325 0.50000 1.00000
Th1 Th 0.38565 0.38565 0.50000 1.00000
Th2 Th 0.11441 0.88552 0.50000 1.00000
Th3 Th 0.88552 0.11441 0.50000 1.00000
Th4 Th 0.99961 0.49991 0.00000 1.00000
Th5 Th 0.49991 0.99961 0.00000 1.00000
Ge1 Ge 0.93243 0.93243 0.00000 1.00000
Ge2 Ge 0.06736 0.06736 0.00000 1.00000
Ge3 Ge 0.43386 0.56797 0.00000 1.00000
Ge4 Ge 0.56797 0.43386 0.00000 1.00000
Ge5 Ge 0.83431 0.30173 0.00000 1.00000
Ge6 Ge 0.16592 0.69843 0.00000 1.00000
Ge7 Ge 0.33441 0.19854 0.00000 1.00000
Ge8 Ge 0.66506 0.80039 0.00000 1.00000
Ge9 Ge 0.19854 0.33441 0.00000 1.00000
Ge10 Ge 0.80039 0.66506 0.00000 1.00000
Ge11 Ge 0.30173 0.83431 0.00000 1.00000
Ge12 Ge 0.69843 0.16592 0.00000 1.00000
Ge13 Ge 0.83776 0.49850 0.50000 1.00000
Ge14 Ge 0.16065 0.50468 0.50000 1.00000
Ge15 Ge 0.33926 0.00242 0.50000 1.00000
Ge16 Ge 0.66070 0.99502 0.50000 1.00000
Ge17 Ge 0.00242 0.33926 0.50000 1.00000
Ge18 Ge 0.99502 0.66070 0.50000 1.00000
Ge19 Ge 0.49850 0.83776 0.50000 1.00000
Ge20 Ge 0.50468 0.16065 0.50000 1.00000
Ir1 Ir 0.75442 0.48101 0.00000 1.00000
Ir2 Ir 0.24630 0.51894 0.00000 1.00000
Ir3 Ir 0.25436 0.01896 0.00000 1.00000
Ir4 Ir 0.74563 0.98127 0.00000 1.00000
Ir5 Ir 0.01896 0.25436 0.00000 1.00000
Ir6 Ir 0.98127 0.74563 0.00000 1.00000
Ir7 Ir 0.48101 0.75442 0.00000 1.00000
Ir8 Ir 0.51894 0.24630 0.00000 1.00000
