Pa2As3Rh2
Alexandria ALEXAlex-ID: agm003308355 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C3_220_spg14
Pa3As4Rh3 PaAs2 As2Rh
2022-01-23 05:05:23.633431
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003308355).
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 agm003308355
data_agm003308355
_cell_length_a 8.62560
_cell_length_b 6.22271
_cell_length_c 6.98652
_cell_angle_alpha 90.00000
_cell_angle_beta 49.12314
_cell_angle_gamma 90.00000
_cell_volume 283.54341
_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 0.91218 0.67673 0.78523 1.00000
Pa2 Pa 0.41218 0.82327 0.78523 1.00000
Pa3 Pa 0.58782 0.17673 0.21477 1.00000
Pa4 Pa 0.08782 0.32327 0.21477 1.00000
As1 As 0.50000 0.50000 0.00000 1.00000
As2 As 0.00000 0.00000 0.00000 1.00000
As3 As 0.75635 0.05427 0.68538 1.00000
As4 As 0.74365 0.55427 0.31462 1.00000
As5 As 0.25635 0.44573 0.68538 1.00000
As6 As 0.24365 0.94573 0.31462 1.00000
Rh1 Rh 0.51971 0.25519 0.66926 1.00000
Rh2 Rh 0.98029 0.75519 0.33074 1.00000
Rh3 Rh 0.01971 0.24481 0.66926 1.00000
Rh4 Rh 0.48029 0.74481 0.33074 1.00000
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