KPrMnN3
Alexandria ALEXAlex-ID: agm005030752 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD3_608_spg12
KMnN2 PrN
2022-08-08 00:45:38.353086
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005030752).
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 agm005030752
data_agm005030752
_cell_length_a 3.74560
_cell_length_b 7.07837
_cell_length_c 7.86738
_cell_angle_alpha 104.93594
_cell_angle_beta 90.00000
_cell_angle_gamma 105.34205
_cell_volume 193.83533
_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
K1 K 0.36894 0.73789 0.92679 1.00000
K2 K 0.63106 0.26211 0.07321 1.00000
Pr1 Pr 0.66128 0.32257 0.58883 1.00000
Pr2 Pr 0.33872 0.67743 0.41117 1.00000
Mn1 Mn 0.00466 0.00932 0.33434 1.00000
Mn2 Mn 0.99534 0.99068 0.66566 1.00000
N1 N 0.87974 0.75948 0.20766 1.00000
N2 N 0.84835 0.69669 0.63148 1.00000
N3 N 0.51254 0.02508 0.33546 1.00000
N4 N 0.15165 0.30331 0.36852 1.00000
N5 N 0.48746 0.97492 0.66454 1.00000
N6 N 0.12026 0.24052 0.79234 1.00000
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