Pa3P4Rh7
Alexandria ALEXAlex-ID: agm005705368 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C7_34_spg12
Pa3P4Rh7
2023-06-29 17:18:39.031583
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005705368).
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 agm005705368
data_agm005705368
_cell_length_a 3.95509
_cell_length_b 7.84805
_cell_length_c 8.05863
_cell_angle_alpha 71.83827
_cell_angle_beta 75.79486
_cell_angle_gamma 75.40536
_cell_volume 226.18833
_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
Pa1 Pa 0.32276 0.18177 0.17272 1.00000
Pa2 Pa 0.67724 0.81823 0.82728 1.00000
Pa3 Pa 0.00000 0.50000 0.50000 1.00000
P1 P 0.65484 0.44493 0.24540 1.00000
P2 P 0.34516 0.55507 0.75460 1.00000
P3 P 0.89327 0.88241 0.33105 1.00000
P4 P 0.10673 0.11759 0.66895 1.00000
Rh1 Rh 0.30026 0.85603 0.54346 1.00000
Rh2 Rh 0.49357 0.22666 0.78620 1.00000
Rh3 Rh 0.82975 0.40742 0.93308 1.00000
Rh4 Rh 0.69974 0.14397 0.45654 1.00000
Rh5 Rh 0.17025 0.59258 0.06692 1.00000
Rh6 Rh 0.00000 0.00000 0.00000 1.00000
Rh7 Rh 0.50643 0.77334 0.21380 1.00000
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