Pa2Mn(CoN3)2
Alexandria ALEXAlex-ID: agm004574232 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D6_26_spg166
MnCo3N4 MnCoN2 Pa7CoN12 Co
2022-06-24 06:51:46.429463
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004574232).
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 agm004574232
data_agm004574232
_cell_length_a 5.51334
_cell_length_b 5.51334
_cell_length_c 5.74129
_cell_angle_alpha 61.30491
_cell_angle_beta 61.30491
_cell_angle_gamma 60.00000
_cell_volume 125.78091
_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
Pa1 Pa 0.78052 0.78052 0.65844 1.00000
Pa2 Pa 0.21948 0.21948 0.34156 1.00000
Mn1 Mn 0.00000 0.00000 0.00000 1.00000
Co1 Co 0.40127 0.40127 0.79620 1.00000
Co2 Co 0.59873 0.59873 0.20380 1.00000
N1 N 0.75746 0.75746 0.26989 1.00000
N2 N 0.21519 0.75746 0.26989 1.00000
N3 N 0.75746 0.21519 0.26989 1.00000
N4 N 0.24254 0.78481 0.73011 1.00000
N5 N 0.78481 0.24254 0.73011 1.00000
N6 N 0.24254 0.24254 0.73011 1.00000
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