Na4MgRh2O7
Alexandria ALEXAlex-ID: agm020183440 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4D7_107_spg1
Na2RhO3 MgO
2025-03-12 10:34:45
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm020183440).
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 agm020183440
data_agm020183440
_cell_length_a 5.38100
_cell_length_b 6.45880
_cell_length_c 9.54350
_cell_angle_alpha 92.19144
_cell_angle_beta 95.33326
_cell_angle_gamma 106.26692
_cell_volume 316.30812
_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
Na1 Na 0.43414 0.36042 0.85673 1.00000
Na2 Na 0.70014 0.92274 0.42338 1.00000
Na3 Na 0.87500 0.22167 0.71544 1.00000
Na4 Na 0.13846 0.78214 0.28655 1.00000
Na5 Na 0.28372 0.07287 0.57072 1.00000
Na6 Na 0.57192 0.64145 0.13803 1.00000
Na7 Na 0.99909 0.49776 0.00675 1.00000
Na8 Na 0.28553 0.57123 0.57112 1.00000
Mg1 Mg 0.00168 0.00199 0.00064 1.00000
Mg2 Mg 0.14078 0.28206 0.28461 1.00000
Rh1 Rh 0.57004 0.14099 0.14212 1.00000
Rh2 Rh 0.85836 0.71626 0.71441 1.00000
Rh3 Rh 0.43037 0.85938 0.85840 1.00000
Rh4 Rh 0.71280 0.42741 0.42857 1.00000
O1 O 0.28798 0.28560 0.08315 1.00000
O2 O 0.58800 0.87836 0.67442 1.00000
O3 O 0.69756 0.14533 0.94370 1.00000
O4 O 0.95642 0.71760 0.51054 1.00000
O5 O 0.13670 0.00206 0.79606 1.00000
O6 O 0.43973 0.56503 0.35795 1.00000
O7 O 0.83756 0.42734 0.22741 1.00000
O8 O 0.61406 0.42294 0.62995 1.00000
O9 O 0.85310 0.99671 0.19801 1.00000
O10 O 0.97405 0.26720 0.47814 1.00000
O11 O 0.30260 0.85698 0.05821 1.00000
O12 O 0.44209 0.13797 0.34231 1.00000
O13 O 0.72335 0.71193 0.91175 1.00000
O14 O 0.14477 0.58658 0.79093 1.00000
