As3P6RhO24
Alexandria ALEXAlex-ID: agm021000439 · Space group: R3 (#146)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C6D24_0_spg146
AsP2O7 P5(RhO8)2 AsPO5
2025-03-06 05:07:08
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm021000439).
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 agm021000439
data_agm021000439
_cell_length_a 8.61323
_cell_length_b 8.61323
_cell_length_c 8.61323
_cell_angle_alpha 56.38674
_cell_angle_beta 56.38674
_cell_angle_gamma 56.38674
_cell_volume 414.08342
_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
As1 As 0.85949 0.85949 0.85949 1.00000
As2 As 0.64980 0.64980 0.64980 1.00000
As3 As 0.35045 0.35045 0.35045 1.00000
P1 P 0.96334 0.54278 0.24549 1.00000
P2 P 0.54278 0.24549 0.96334 1.00000
P3 P 0.24549 0.96334 0.54278 1.00000
P4 P 0.74024 0.04063 0.46689 1.00000
P5 P 0.46689 0.74024 0.04063 1.00000
P6 P 0.04063 0.46689 0.74024 1.00000
Rh1 Rh 0.14069 0.14069 0.14069 1.00000
O1 O 0.83243 0.48415 0.77745 1.00000
O2 O 0.77745 0.83243 0.48415 1.00000
O3 O 0.88134 0.75918 0.10445 1.00000
O4 O 0.48415 0.77745 0.83243 1.00000
O5 O 0.81303 0.52206 0.46476 1.00000
O6 O 0.97565 0.39904 0.18943 1.00000
O7 O 0.75918 0.10445 0.88134 1.00000
O8 O 0.52206 0.46476 0.81303 1.00000
O9 O 0.46476 0.81303 0.52206 1.00000
O10 O 0.78148 0.01817 0.63501 1.00000
O11 O 0.87092 0.12768 0.25901 1.00000
O12 O 0.63501 0.78148 0.01817 1.00000
O13 O 0.39904 0.18943 0.97565 1.00000
O14 O 0.10445 0.88134 0.75918 1.00000
O15 O 0.18943 0.97565 0.39904 1.00000
O16 O 0.51605 0.18344 0.49975 1.00000
O17 O 0.49975 0.51605 0.18344 1.00000
O18 O 0.25901 0.87092 0.12768 1.00000
O19 O 0.01817 0.63501 0.78148 1.00000
O20 O 0.18344 0.49975 0.51605 1.00000
O21 O 0.52043 0.21357 0.17259 1.00000
O22 O 0.12768 0.25901 0.87092 1.00000
O23 O 0.21357 0.17259 0.52043 1.00000
O24 O 0.17259 0.52043 0.21357 1.00000
