Na4MgNi2RhO8
Alexandria ALEXAlex-ID: agm010358347 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4E8_3_spg8
Na4Ni3RhO8 Na5NiO4 Na3Mg2RhO6 Na3O4 MgO
2025-02-02 22:15:22
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010358347).
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
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# CIF generated by HEAS from Alexandria entry agm010358347
data_agm010358347
_cell_length_a 5.61285
_cell_length_b 5.61285
_cell_length_c 10.61997
_cell_angle_alpha 81.43147
_cell_angle_beta 98.56853
_cell_angle_gamma 148.32835
_cell_volume 173.54817
_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 0.00161 0.99839 0.00537 1.00000
Na2 Na 0.50156 0.49844 0.75658 1.00000
Na3 Na 0.99816 0.00184 0.49265 1.00000
Na4 Na 0.50203 0.49797 0.24544 1.00000
Mg1 Mg 0.25418 0.74582 0.36574 1.00000
Ni1 Ni 0.75521 0.24479 0.12865 1.00000
Ni2 Ni 0.24869 0.75131 0.88325 1.00000
Rh1 Rh 0.74799 0.25201 0.62427 1.00000
O1 O 0.84181 0.15819 0.80199 1.00000
O2 O 0.35239 0.64761 0.56714 1.00000
O3 O 0.85643 0.14357 0.30447 1.00000
O4 O 0.35249 0.64751 0.06185 1.00000
O5 O 0.65259 0.34741 0.45007 1.00000
O6 O 0.15185 0.84815 0.18594 1.00000
O7 O 0.65089 0.34911 0.94276 1.00000
O8 O 0.14605 0.85395 0.68383 1.00000
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