RbP2Ir3
Alexandria ALEXAlex-ID: agm005808529 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_6_spg12
Rb(PIr)2 Ir
2023-08-24 07:29:02.055986
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005808529).
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 agm005808529
data_agm005808529
_cell_length_a 3.93456
_cell_length_b 7.68192
_cell_length_c 9.01385
_cell_angle_alpha 111.93588
_cell_angle_beta 90.00000
_cell_angle_gamma 104.83830
_cell_volume 242.89739
_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
Rb1 Rb 0.85695 0.71389 0.94779 1.00000
Rb2 Rb 0.14305 0.28611 0.05221 1.00000
P1 P 0.47407 0.94815 0.76296 1.00000
P2 P 0.52593 0.05185 0.23704 1.00000
P3 P 0.81904 0.63808 0.35730 1.00000
P4 P 0.18096 0.36192 0.64270 1.00000
Ir1 Ir 0.31314 0.62628 0.57290 1.00000
Ir2 Ir 0.95429 0.90857 0.60593 1.00000
Ir3 Ir 0.59561 0.19122 0.64591 1.00000
Ir4 Ir 0.40439 0.80878 0.35409 1.00000
Ir5 Ir 0.04571 0.09143 0.39407 1.00000
Ir6 Ir 0.68686 0.37372 0.42710 1.00000
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