Na4Mn2Ni3O10
Alexandria ALEXAlex-ID: agm009337647 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4D10_2_spg2
Na2Mn2NiO6 NaO4 Na5Mn2Ni3O10 NiO
2024-05-14 20:44:06.260626
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009337647).
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 agm009337647
data_agm009337647
_cell_length_a 5.34621
_cell_length_b 5.36043
_cell_length_c 7.88611
_cell_angle_alpha 70.79997
_cell_angle_beta 70.67582
_cell_angle_gamma 79.48374
_cell_volume 200.71495
_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 0.23175 0.47688 0.59383 1.00000
Na2 Na 0.76825 0.52312 0.40617 1.00000
Na3 Na 0.40101 0.47841 0.21097 1.00000
Na4 Na 0.59899 0.52159 0.78903 1.00000
Mn1 Mn 0.09918 0.00355 0.30244 1.00000
Mn2 Mn 0.90082 0.99645 0.69756 1.00000
Ni1 Ni 0.00000 0.50000 0.00000 1.00000
Ni2 Ni 0.29581 0.99212 0.90349 1.00000
Ni3 Ni 0.70419 0.00788 0.09651 1.00000
O1 O 0.05207 0.78820 0.14454 1.00000
O2 O 0.94793 0.21180 0.85546 1.00000
O3 O 0.10152 0.20979 0.46170 1.00000
O4 O 0.89848 0.79021 0.53830 1.00000
O5 O 0.31002 0.22903 0.05547 1.00000
O6 O 0.68998 0.77097 0.94453 1.00000
O7 O 0.20023 0.75794 0.78075 1.00000
O8 O 0.79977 0.24206 0.21925 1.00000
O9 O 0.43028 0.81610 0.31681 1.00000
O10 O 0.56972 0.18390 0.68319 1.00000
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