MnNO4
Alexandria ALEXAlex-ID: agm005232115 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_3993_spg74
MnO2 Mn(NO3)2
2023-05-09 22:22:40.466093
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005232115).
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 agm005232115
data_agm005232115
_cell_length_a 6.05267
_cell_length_b 8.12550
_cell_length_c 5.87208
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 288.79443
_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 0.25000 0.25242 0.00052 1.00000
Mn2 Mn 0.25000 0.24758 0.50052 1.00000
Mn3 Mn 0.75000 0.74758 0.99948 1.00000
Mn4 Mn 0.75000 0.75242 0.49948 1.00000
N1 N 0.25000 0.70907 0.99961 1.00000
N2 N 0.25000 0.79093 0.49961 1.00000
N3 N 0.75000 0.29093 0.00039 1.00000
N4 N 0.75000 0.20907 0.50039 1.00000
O1 O 0.25000 0.39672 0.75698 1.00000
O2 O 0.25000 0.10328 0.25698 1.00000
O3 O 0.75000 0.60328 0.24302 1.00000
O4 O 0.75000 0.89672 0.74302 1.00000
O5 O 0.25000 0.39669 0.24408 1.00000
O6 O 0.25000 0.10331 0.74408 1.00000
O7 O 0.75000 0.60331 0.75592 1.00000
O8 O 0.75000 0.89669 0.25592 1.00000
O9 O 0.92099 0.20143 0.00074 1.00000
O10 O 0.57901 0.29857 0.50074 1.00000
O11 O 0.42099 0.79857 0.99926 1.00000
O12 O 0.07901 0.70143 0.49926 1.00000
O13 O 0.07901 0.79857 0.99926 1.00000
O14 O 0.42099 0.70143 0.49926 1.00000
O15 O 0.57901 0.20143 0.00074 1.00000
O16 O 0.92099 0.29857 0.50074 1.00000
