CaMn(NO4)2
Alexandria ALEXAlex-ID: agm004897337 · Space group: I-4 (#82)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_848_spg82
Ca(NO3)2 MnO2
2023-01-01 22:25:44.366697
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004897337).
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 agm004897337
data_agm004897337
_cell_length_a 4.54799
_cell_length_b 4.54799
_cell_length_c 6.87903
_cell_angle_alpha 109.30332
_cell_angle_beta 109.30333
_cell_angle_gamma 90.00000
_cell_volume 125.78153
_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
Ca1 Ca 0.00000 0.00000 0.00000 1.00000
Mn1 Mn 0.75000 0.25000 0.50000 1.00000
N1 N 0.50000 0.50000 0.00000 1.00000
N2 N 0.25000 0.75000 0.50000 1.00000
O1 O 0.65212 0.79688 0.12574 1.00000
O2 O 0.47362 0.32886 0.12574 1.00000
O3 O 0.53988 0.69838 0.62392 1.00000
O4 O 0.08404 0.92554 0.62392 1.00000
O5 O 0.07446 0.46012 0.37608 1.00000
O6 O 0.30162 0.91596 0.37608 1.00000
O7 O 0.20312 0.52638 0.87426 1.00000
O8 O 0.67114 0.34788 0.87426 1.00000
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