Th3(PRh)4
Alexandria ALEXAlex-ID: agm005708241 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C4_0_spg71
Th2P2Rh ThP Th7P12Rh17
2023-06-29 22:00:51.834752
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005708241).
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 agm005708241
data_agm005708241
_cell_length_a 4.10224
_cell_length_b 4.03195
_cell_length_c 12.49377
_cell_angle_alpha 99.28576
_cell_angle_beta 99.44910
_cell_angle_gamma 89.99999
_cell_volume 201.09787
_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 0.35328 0.85328 0.70655 1.00000
Th2 Th 0.64672 0.14672 0.29345 1.00000
Th3 Th 0.00000 0.00000 0.00000 1.00000
P1 P 0.80710 0.30710 0.61420 1.00000
P2 P 0.45209 0.45209 0.90418 1.00000
P3 P 0.54791 0.54791 0.09582 1.00000
P4 P 0.19290 0.69290 0.38580 1.00000
Rh1 Rh 0.25040 0.25040 0.50080 1.00000
Rh2 Rh 0.09521 0.59521 0.19042 1.00000
Rh3 Rh 0.90479 0.40479 0.80958 1.00000
Rh4 Rh 0.74960 0.74960 0.49920 1.00000
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