Pr2Th2Rh3
Alexandria ALEXAlex-ID: agm003306010 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C3_98_spg12
PrThRh2 Pr7Rh3 ThRh
2022-02-03 21:40:17.309700
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003306010).
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 agm003306010
data_agm003306010
_cell_length_a 4.09710
_cell_length_b 7.03513
_cell_length_c 7.28043
_cell_angle_alpha 98.56267
_cell_angle_beta 90.01356
_cell_angle_gamma 106.96471
_cell_volume 198.26766
_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
Pr1 Pr 0.86972 0.74076 0.63272 1.00000
Pr2 Pr 0.13028 0.25924 0.36728 1.00000
Th1 Th 0.63012 0.26131 0.89956 1.00000
Th2 Th 0.36988 0.73869 0.10044 1.00000
Rh1 Rh 0.00000 0.00000 0.00000 1.00000
Rh2 Rh 0.76160 0.52167 0.24937 1.00000
Rh3 Rh 0.23840 0.47833 0.75063 1.00000
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