MnH8C4(NO3)2
Alexandria ALEXAlex-ID: agm005238891 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4D6E8_4_spg15
H6C(NO)2 MnCO3 H2O C
2024-10-18 14:32:08
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005238891).
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 agm005238891
data_agm005238891
_cell_length_a 8.43505
_cell_length_b 8.43505
_cell_length_c 8.67018
_cell_angle_alpha 63.66383
_cell_angle_beta 63.66383
_cell_angle_gamma 62.85685
_cell_volume 468.92053
_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 0.50000 0.50000 1.00000
Mn2 Mn 0.50000 0.00000 0.00000 1.00000
H1 H 0.32703 0.67297 0.25000 1.00000
H2 H 0.67297 0.32703 0.75000 1.00000
H3 H 0.81224 0.68345 0.18055 1.00000
H4 H 0.31655 0.18776 0.31945 1.00000
H5 H 0.18776 0.31655 0.81945 1.00000
H6 H 0.68345 0.81224 0.68055 1.00000
H7 H 0.37275 0.86904 0.48432 1.00000
H8 H 0.13096 0.62725 0.01568 1.00000
H9 H 0.62725 0.13096 0.51568 1.00000
H10 H 0.86904 0.37275 0.98432 1.00000
H11 H 0.14914 0.00393 0.60008 1.00000
H12 H 0.99607 0.85086 0.89992 1.00000
H13 H 0.85086 0.99607 0.39992 1.00000
H14 H 0.00393 0.14914 0.10008 1.00000
H15 H 0.38402 0.61598 0.75000 1.00000
H16 H 0.61598 0.38402 0.25000 1.00000
C1 C 0.20098 0.79902 0.25000 1.00000
C2 C 0.79902 0.20098 0.75000 1.00000
C3 C 0.69909 0.72561 0.29834 1.00000
C4 C 0.27439 0.30091 0.20166 1.00000
C5 C 0.30091 0.27439 0.70166 1.00000
C6 C 0.72561 0.69909 0.79834 1.00000
C7 C 0.25977 0.74023 0.75000 1.00000
C8 C 0.74023 0.25977 0.25000 1.00000
N1 N 0.25988 0.88043 0.59981 1.00000
N2 N 0.11957 0.74012 0.90019 1.00000
N3 N 0.74012 0.11957 0.40019 1.00000
N4 N 0.88043 0.25988 0.09981 1.00000
O1 O 0.72567 0.64297 0.45145 1.00000
O2 O 0.35703 0.27433 0.04855 1.00000
O3 O 0.27433 0.35703 0.54855 1.00000
O4 O 0.64297 0.72567 0.95145 1.00000
O5 O 0.14674 0.45121 0.23062 1.00000
O6 O 0.54879 0.85326 0.26938 1.00000
O7 O 0.85326 0.54879 0.76938 1.00000
O8 O 0.45121 0.14674 0.73062 1.00000
O9 O 0.04550 0.77784 0.36024 1.00000
O10 O 0.22216 0.95450 0.13976 1.00000
O11 O 0.95450 0.22216 0.63976 1.00000
O12 O 0.77784 0.04550 0.86024 1.00000
