Nd2Mn2O5
Alexandria ALEXAlex-ID: agm005566176 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_214_spg12
MnO Nd2O3
2023-06-03 03:55:19.046040
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005566176).
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 agm005566176
data_agm005566176
_cell_length_a 3.97627
_cell_length_b 6.61860
_cell_length_c 6.33844
_cell_angle_alpha 58.29375
_cell_angle_beta 71.71989
_cell_angle_gamma 72.51924
_cell_volume 132.84303
_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 0.38577 0.28091 0.94755 1.00000
Nd2 Nd 0.61423 0.71909 0.05245 1.00000
Mn1 Mn 0.14301 0.15432 0.55965 1.00000
Mn2 Mn 0.85699 0.84568 0.44035 1.00000
O1 O 0.35953 0.92808 0.35287 1.00000
O2 O 0.64047 0.07192 0.64713 1.00000
O3 O 0.16152 0.47107 0.20588 1.00000
O4 O 0.83848 0.52893 0.79412 1.00000
O5 O 0.00000 0.00000 0.00000 1.00000
Get direct link