MnH8(NO5)2
Alexandria ALEXAlex-ID: agm006708809 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C8D10_23_spg2
MnH4(NO4)2 H2O
2025-01-14 22:55:57
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006708809).
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 agm006708809
data_agm006708809
_cell_length_a 5.70936
_cell_length_b 7.53337
_cell_length_c 10.64705
_cell_angle_alpha 71.03097
_cell_angle_beta 77.83071
_cell_angle_gamma 77.41016
_cell_volume 417.76881
_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 0.00000 0.00000 0.00000 1.00000
Mn2 Mn 0.50000 0.50000 0.50000 1.00000
H1 H 0.46181 0.78777 0.04406 1.00000
H2 H 0.53819 0.21223 0.95594 1.00000
H3 H 0.28003 0.63969 0.09632 1.00000
H4 H 0.71997 0.36031 0.90368 1.00000
H5 H 0.80333 0.78999 0.25546 1.00000
H6 H 0.19667 0.21001 0.74454 1.00000
H7 H 0.71989 0.00475 0.26176 1.00000
H8 H 0.28011 0.99525 0.73824 1.00000
H9 H 0.97892 0.46441 0.37611 1.00000
H10 H 0.02108 0.53559 0.62389 1.00000
H11 H 0.84298 0.45607 0.26603 1.00000
H12 H 0.15702 0.54393 0.73397 1.00000
H13 H 0.27925 0.88030 0.37450 1.00000
H14 H 0.72075 0.11970 0.62550 1.00000
H15 H 0.30609 0.75980 0.27227 1.00000
H16 H 0.69391 0.24020 0.72773 1.00000
N1 N 0.15062 0.31298 0.09251 1.00000
N2 N 0.84938 0.68702 0.90749 1.00000
N3 N 0.35507 0.20286 0.39105 1.00000
N4 N 0.64493 0.79714 0.60895 1.00000
O1 O 0.29518 0.76997 0.09309 1.00000
O2 O 0.70482 0.23003 0.90691 1.00000
O3 O 0.79870 0.92491 0.20212 1.00000
O4 O 0.20130 0.07509 0.79788 1.00000
O5 O 0.23251 0.18945 0.02615 1.00000
O6 O 0.76749 0.81055 0.97385 1.00000
O7 O 0.30036 0.39662 0.11228 1.00000
O8 O 0.69964 0.60338 0.88772 1.00000
O9 O 0.92694 0.34284 0.13338 1.00000
O10 O 0.07306 0.65716 0.86662 1.00000
O11 O 0.31336 0.74916 0.36646 1.00000
O12 O 0.68664 0.25084 0.63354 1.00000
O13 O 0.82741 0.52119 0.33577 1.00000
O14 O 0.17259 0.47881 0.66423 1.00000
O15 O 0.27461 0.35847 0.42520 1.00000
O16 O 0.72539 0.64153 0.57480 1.00000
O17 O 0.20263 0.11656 0.37718 1.00000
O18 O 0.79737 0.88344 0.62282 1.00000
O19 O 0.58001 0.14785 0.37364 1.00000
O20 O 0.41999 0.85215 0.62636 1.00000
