Sr(PRh)3
Alexandria ALEXAlex-ID: agm005994871 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C3_32_spg12
Sr(PRh)2 P2Rh Sr2P6Rh7
2023-08-06 13:58:32.678927
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005994871).
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 agm005994871
data_agm005994871
_cell_length_a 3.94745
_cell_length_b 6.71345
_cell_length_c 10.68409
_cell_angle_alpha 77.00566
_cell_angle_beta 79.35431
_cell_angle_gamma 72.90263
_cell_volume 261.54848
_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
Sr1 Sr 0.36255 0.57140 0.70349 1.00000
Sr2 Sr 0.63745 0.42860 0.29651 1.00000
P1 P 0.11429 0.24226 0.52915 1.00000
P2 P 0.88571 0.75774 0.47085 1.00000
P3 P 0.37829 0.05366 0.18976 1.00000
P4 P 0.62171 0.94634 0.81024 1.00000
P5 P 0.88534 0.30536 0.92396 1.00000
P6 P 0.11466 0.69464 0.07604 1.00000
Rh1 Rh 0.31381 0.95649 0.41589 1.00000
Rh2 Rh 0.68619 0.04351 0.58411 1.00000
Rh3 Rh 0.30740 0.34755 0.03766 1.00000
Rh4 Rh 0.69260 0.65245 0.96234 1.00000
Rh5 Rh 0.94111 0.87309 0.24468 1.00000
Rh6 Rh 0.05889 0.12691 0.75532 1.00000
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