MgRh3(SO4)6
Alexandria ALEXAlex-ID: agm021017730 · Space group: R3 (#146)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C6D24_0_spg146
MgRh3(SO4)6
2025-01-28 11:42:46
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm021017730).
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 agm021017730
data_agm021017730
_cell_length_a 8.89750
_cell_length_b 8.89750
_cell_length_c 8.89750
_cell_angle_alpha 55.22930
_cell_angle_beta 55.22930
_cell_angle_gamma 55.22930
_cell_volume 442.83532
_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
Mg1 Mg 0.64007 0.64007 0.64007 1.00000
Rh1 Rh 0.84574 0.84574 0.84574 1.00000
Rh2 Rh 0.35346 0.35346 0.35346 1.00000
Rh3 Rh 0.15278 0.15278 0.15278 1.00000
S1 S 0.95416 0.54308 0.24555 1.00000
S2 S 0.45932 0.74754 0.04074 1.00000
S3 S 0.74754 0.04074 0.45932 1.00000
S4 S 0.24555 0.95416 0.54308 1.00000
S5 S 0.54308 0.24555 0.95416 1.00000
S6 S 0.04074 0.45932 0.74754 1.00000
O1 O 0.00365 0.66256 0.03030 1.00000
O2 O 0.96785 0.34376 0.29262 1.00000
O3 O 0.65268 0.70344 0.03756 1.00000
O4 O 0.95920 0.00760 0.32980 1.00000
O5 O 0.52206 0.30142 0.09640 1.00000
O6 O 0.75581 0.63574 0.36354 1.00000
O7 O 0.32980 0.95920 0.00760 1.00000
O8 O 0.62367 0.24410 0.36473 1.00000
O9 O 0.70324 0.89084 0.48769 1.00000
O10 O 0.89084 0.48769 0.70324 1.00000
O11 O 0.36473 0.62367 0.24410 1.00000
O12 O 0.70344 0.03756 0.65268 1.00000
O13 O 0.29262 0.96785 0.34376 1.00000
O14 O 0.63574 0.36354 0.75581 1.00000
O15 O 0.09640 0.52206 0.30142 1.00000
O16 O 0.30142 0.09640 0.52206 1.00000
O17 O 0.36354 0.75581 0.63574 1.00000
O18 O 0.66256 0.03030 0.00365 1.00000
O19 O 0.24410 0.36473 0.62367 1.00000
O20 O 0.48769 0.70324 0.89084 1.00000
O21 O 0.03030 0.00365 0.66256 1.00000
O22 O 0.34376 0.29262 0.96785 1.00000
O23 O 0.03756 0.65268 0.70344 1.00000
O24 O 0.00760 0.32980 0.95920 1.00000
