Nd8Mn3Nb5O28
Alexandria ALEXAlex-ID: agm017494226 · Space group: C2 (#5)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B5C8D28_0_spg5
Nd3NbO7 NdMnO3 NdNbO4 MnO
2024-12-31 21:07:22
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017494226).
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 agm017494226
data_agm017494226
_cell_length_a 7.73233
_cell_length_b 7.73233
_cell_length_c 11.92835
_cell_angle_alpha 80.73660
_cell_angle_beta 99.26340
_cell_angle_gamma 119.23730
_cell_volume 611.39606
_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
Nd1 Nd 0.25818 0.50702 0.74273 1.00000
Nd2 Nd 0.50702 0.25818 0.25727 1.00000
Nd3 Nd 0.74795 0.50512 0.74655 1.00000
Nd4 Nd 0.50512 0.74795 0.25345 1.00000
Nd5 Nd 0.98843 0.75338 0.22596 1.00000
Nd6 Nd 0.75338 0.98843 0.77404 1.00000
Nd7 Nd 0.01055 0.24194 0.28915 1.00000
Nd8 Nd 0.24194 0.01055 0.71085 1.00000
Mn1 Mn 0.45307 0.45307 0.50000 1.00000
Mn2 Mn 0.55378 0.55378 0.00000 1.00000
Mn3 Mn 0.86282 0.86282 0.50000 1.00000
Nb1 Nb 0.11008 0.60731 0.99441 1.00000
Nb2 Nb 0.60731 0.11008 0.00559 1.00000
Nb3 Nb 0.88997 0.38219 0.50908 1.00000
Nb4 Nb 0.38219 0.88997 0.49092 1.00000
Nb5 Nb 0.12100 0.12100 0.00000 1.00000
O1 O 0.88072 0.85277 0.66502 1.00000
O2 O 0.85277 0.88072 0.33498 1.00000
O3 O 0.12298 0.14248 0.83276 1.00000
O4 O 0.14248 0.12298 0.16724 1.00000
O5 O 0.22208 0.43345 0.96973 1.00000
O6 O 0.43345 0.22208 0.03027 1.00000
O7 O 0.76745 0.54963 0.53486 1.00000
O8 O 0.54963 0.76745 0.46514 1.00000
O9 O 0.16688 0.57406 0.53023 1.00000
O10 O 0.57406 0.16688 0.46977 1.00000
O11 O 0.83414 0.42827 0.97166 1.00000
O12 O 0.42827 0.83414 0.02834 1.00000
O13 O 0.56103 0.13616 0.83788 1.00000
O14 O 0.13616 0.56103 0.16212 1.00000
O15 O 0.44118 0.86472 0.66254 1.00000
O16 O 0.86472 0.44118 0.33746 1.00000
O17 O 0.36033 0.40947 0.33511 1.00000
O18 O 0.40947 0.36033 0.66489 1.00000
O19 O 0.64224 0.59064 0.16353 1.00000
O20 O 0.59064 0.64224 0.83647 1.00000
O21 O 0.11904 0.69234 0.82546 1.00000
O22 O 0.69234 0.11904 0.17454 1.00000
O23 O 0.89367 0.31844 0.68253 1.00000
O24 O 0.31844 0.89367 0.31747 1.00000
O25 O 0.06066 0.84096 0.02132 1.00000
O26 O 0.84096 0.06066 0.97868 1.00000
O27 O 0.94159 0.16772 0.48479 1.00000
O28 O 0.16772 0.94159 0.51521 1.00000
