Y2Th3Rh
Alexandria ALEXAlex-ID: agm039701207 · Space group: P2/m (#10)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_6709_spg10
Y4ThRh2 Th
2025-04-14 14:41:14
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm039701207).
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 agm039701207
data_agm039701207
_cell_length_a 8.37338
_cell_length_b 3.66888
_cell_length_c 11.93457
_cell_angle_alpha 90.00000
_cell_angle_beta 109.00795
_cell_angle_gamma 90.00000
_cell_volume 346.64972
_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 0.17637 0.50000 0.32154 1.00000
Y2 Y 0.63832 0.00000 0.86801 1.00000
Y3 Y 0.36168 0.00000 0.13199 1.00000
Y4 Y 0.82363 0.50000 0.67846 1.00000
Th1 Th 0.00000 0.00000 0.50000 1.00000
Th2 Th 0.00000 0.50000 0.00000 1.00000
Th3 Th 0.62735 0.50000 0.36922 1.00000
Th4 Th 0.37265 0.50000 0.63078 1.00000
Th5 Th 0.20858 0.00000 0.82602 1.00000
Th6 Th 0.79142 0.00000 0.17398 1.00000
Rh1 Rh 0.50000 0.00000 0.50000 1.00000
Rh2 Rh 0.50000 0.50000 0.00000 1.00000
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