K2MnFeP2
Alexandria ALEXAlex-ID: agm048299181 · Space group: Ibam (#72)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D2_33_spg72
KMnP KFeP
2024-09-21 20:35:04.311736
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm048299181).
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 agm048299181
data_agm048299181
_cell_length_a 11.10770
_cell_length_b 11.10770
_cell_length_c 11.10770
_cell_angle_alpha 151.68894
_cell_angle_beta 151.83891
_cell_angle_gamma 40.35828
_cell_volume 306.13577
_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 0.89438 0.14587 0.74851 1.00000
K2 K 0.10562 0.85413 0.25149 1.00000
K3 K 0.60264 0.35413 0.24851 1.00000
K4 K 0.39736 0.64587 0.75149 1.00000
Mn1 Mn 0.50000 0.75000 0.25000 1.00000
Mn2 Mn 0.50000 0.25000 0.75000 1.00000
Fe1 Fe 0.00000 0.75000 0.75000 1.00000
Fe2 Fe 0.00000 0.25000 0.25000 1.00000
P1 P 0.29599 0.05620 0.23979 1.00000
P2 P 0.81641 0.55620 0.26021 1.00000
P3 P 0.18359 0.44380 0.73979 1.00000
P4 P 0.70401 0.94380 0.76021 1.00000
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