MnNO4
Alexandria ALEXAlex-ID: agm005275585 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_3994_spg62
MnO2 Mn(NO3)2
2023-05-10 00:34:08.206278
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005275585).
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 agm005275585
data_agm005275585
_cell_length_a 5.93221
_cell_length_b 6.32327
_cell_length_c 9.81920
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 368.32752
_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
Mn1 Mn 0.75000 0.10905 0.30719 1.00000
Mn2 Mn 0.75000 0.60905 0.19281 1.00000
Mn3 Mn 0.25000 0.89095 0.69281 1.00000
Mn4 Mn 0.25000 0.39095 0.80719 1.00000
N1 N 0.75000 0.87659 0.66595 1.00000
N2 N 0.75000 0.37659 0.83405 1.00000
N3 N 0.25000 0.12341 0.33405 1.00000
N4 N 0.25000 0.62341 0.16595 1.00000
O1 O 0.75000 0.19895 0.46175 1.00000
O2 O 0.75000 0.69895 0.03825 1.00000
O3 O 0.25000 0.80105 0.53825 1.00000
O4 O 0.25000 0.30105 0.96175 1.00000
O5 O 0.75000 0.82081 0.31275 1.00000
O6 O 0.75000 0.32081 0.18725 1.00000
O7 O 0.25000 0.17919 0.68725 1.00000
O8 O 0.25000 0.67919 0.81275 1.00000
O9 O 0.07599 0.08063 0.26379 1.00000
O10 O 0.42401 0.58063 0.23621 1.00000
O11 O 0.57599 0.91937 0.73621 1.00000
O12 O 0.92401 0.41937 0.76379 1.00000
O13 O 0.92401 0.91937 0.73621 1.00000
O14 O 0.57599 0.41937 0.76379 1.00000
O15 O 0.42401 0.08063 0.26379 1.00000
O16 O 0.07599 0.58063 0.23621 1.00000
