MnH8(NO5)2
Alexandria ALEXAlex-ID: agm006708604 · Space group: Fdd2 (#43)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C8D10_15_spg43
MnH4(NO4)2 H2O
2024-12-21 15:41:35
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006708604).
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 agm006708604
data_agm006708604
_cell_length_a 14.50885
_cell_length_b 13.74720
_cell_length_c 6.11497
_cell_angle_alpha 84.58311
_cell_angle_beta 70.60864
_cell_angle_gamma 24.80824
_cell_volume 411.45122
_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 0.25316 0.24684 0.25316 1.00000
Mn2 Mn 0.00316 0.99684 0.00316 1.00000
H1 H 0.87543 0.99929 0.48673 1.00000
H2 H 0.48673 0.63855 0.87543 1.00000
H3 H 0.61145 0.76327 0.25071 1.00000
H4 H 0.25071 0.37457 0.61145 1.00000
H5 H 0.98203 0.00559 0.47163 1.00000
H6 H 0.47163 0.54075 0.98203 1.00000
H7 H 0.70925 0.77837 0.24441 1.00000
H8 H 0.24441 0.26797 0.70925 1.00000
H9 H 0.97486 0.67017 0.18975 1.00000
H10 H 0.18975 0.16522 0.97486 1.00000
H11 H 0.08478 0.06025 0.57983 1.00000
H12 H 0.57983 0.27514 0.08478 1.00000
H13 H 0.80806 0.78045 0.49205 1.00000
H14 H 0.49205 0.91944 0.80806 1.00000
H15 H 0.33056 0.75795 0.46955 1.00000
H16 H 0.46955 0.44194 0.33056 1.00000
N1 N 0.63517 0.06355 0.84617 1.00000
N2 N 0.84617 0.45511 0.63517 1.00000
N3 N 0.79489 0.40383 0.18645 1.00000
N4 N 0.18645 0.61483 0.79489 1.00000
O1 O 0.57675 0.02822 0.85341 1.00000
O2 O 0.85341 0.54161 0.57675 1.00000
O3 O 0.70839 0.39659 0.22178 1.00000
O4 O 0.22178 0.67325 0.70839 1.00000
O5 O 0.48565 0.24837 0.05695 1.00000
O6 O 0.05695 0.20903 0.48565 1.00000
O7 O 0.04097 0.19305 0.00163 1.00000
O8 O 0.00163 0.76435 0.04097 1.00000
O9 O 0.83951 0.91020 0.62814 1.00000
O10 O 0.62814 0.62216 0.83951 1.00000
O11 O 0.62784 0.62186 0.33980 1.00000
O12 O 0.33980 0.41049 0.62784 1.00000
O13 O 0.90813 0.03599 0.40049 1.00000
O14 O 0.40049 0.65539 0.90813 1.00000
O15 O 0.59461 0.84951 0.21401 1.00000
O16 O 0.21401 0.34187 0.59461 1.00000
O17 O 0.92285 0.65489 0.30088 1.00000
O18 O 0.30088 0.12138 0.92285 1.00000
O19 O 0.12862 0.94912 0.59511 1.00000
O20 O 0.59511 0.32715 0.12862 1.00000
