ThP2Rh3
Alexandria ALEXAlex-ID: agm021001089 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_183_spg12
PRh2 Th7P12Rh17
2025-04-14 05:46:19
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm021001089).
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
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# CIF generated by HEAS from Alexandria entry agm021001089
data_agm021001089
_cell_length_a 7.84509
_cell_length_b 7.84509
_cell_length_c 7.17477
_cell_angle_alpha 65.41678
_cell_angle_beta 114.58322
_cell_angle_gamma 150.34082
_cell_volume 197.23938
_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 0.84367 0.15633 0.92778 1.00000
Th2 Th 0.15633 0.84367 0.07222 1.00000
P1 P 0.48201 0.51799 0.82695 1.00000
P2 P 0.51799 0.48201 0.17305 1.00000
P3 P 0.81249 0.18751 0.31834 1.00000
P4 P 0.18751 0.81249 0.68166 1.00000
Rh1 Rh 0.31690 0.68310 0.58140 1.00000
Rh2 Rh 0.95737 0.04263 0.64775 1.00000
Rh3 Rh 0.60317 0.39683 0.70064 1.00000
Rh4 Rh 0.39683 0.60317 0.29936 1.00000
Rh5 Rh 0.04263 0.95737 0.35225 1.00000
Rh6 Rh 0.68310 0.31690 0.41860 1.00000
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