Ac8Rh3PbI4
Alexandria ALEXAlex-ID: agm004736618 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4D8_65_spg12
Ac5Pb3 Ac2PbI2 Ac2RhI Ac
2023-02-12 03:25:27.942213
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004736618).
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 agm004736618
data_agm004736618
_cell_length_a 9.09036
_cell_length_b 10.03014
_cell_length_c 9.09166
_cell_angle_alpha 116.98599
_cell_angle_beta 119.99528
_cell_angle_gamma 90.00000
_cell_volume 611.49841
_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
Ac1 Ac 0.24312 0.68825 0.94556 1.00000
Ac2 Ac 0.24301 0.68811 0.48602 1.00000
Ac3 Ac 0.26980 0.30979 0.53960 1.00000
Ac4 Ac 0.70244 0.68825 0.94556 1.00000
Ac5 Ac 0.29756 0.31175 0.05444 1.00000
Ac6 Ac 0.73020 0.69021 0.46040 1.00000
Ac7 Ac 0.75699 0.31189 0.51398 1.00000
Ac8 Ac 0.75688 0.31175 0.05444 1.00000
Rh1 Rh 0.50000 0.50000 0.00000 1.00000
Rh2 Rh 0.50000 0.50000 0.50000 1.00000
Rh3 Rh 0.00000 0.50000 0.50000 1.00000
Pb1 Pb 0.00000 0.50000 0.00000 1.00000
I1 I 0.50000 0.00000 0.00000 1.00000
I2 I 0.50000 0.00000 0.50000 1.00000
I3 I 0.00000 0.00000 0.00000 1.00000
I4 I 0.00000 0.00000 0.50000 1.00000
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