K2MnPHO5
Alexandria ALEXAlex-ID: agm006337090 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD2E5_20_spg14
Mn(HO)2 KMnPO4 K3PO4
2024-11-01 23:35:36.994857
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006337090).
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 agm006337090
data_agm006337090
_cell_length_a 10.88657
_cell_length_b 6.26146
_cell_length_c 9.19385
_cell_angle_alpha 76.81222
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 610.17861
_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 0.86610 0.66909 0.70492 1.00000
K2 K 0.16982 0.65914 0.62120 1.00000
K3 K 0.63390 0.16909 0.70492 1.00000
K4 K 0.33018 0.15914 0.62120 1.00000
K5 K 0.66982 0.84086 0.37880 1.00000
K6 K 0.36610 0.83091 0.29508 1.00000
K7 K 0.83018 0.34086 0.37880 1.00000
K8 K 0.13390 0.33091 0.29508 1.00000
Mn1 Mn 0.14117 0.79457 0.98659 1.00000
Mn2 Mn 0.35883 0.29457 0.98659 1.00000
Mn3 Mn 0.64117 0.70543 0.01341 1.00000
Mn4 Mn 0.85883 0.20543 0.01341 1.00000
P1 P 0.49656 0.64674 0.71947 1.00000
P2 P 0.00344 0.14674 0.71947 1.00000
P3 P 0.99656 0.85326 0.28053 1.00000
P4 P 0.50344 0.35326 0.28053 1.00000
H1 H 0.37129 0.89230 0.94190 1.00000
H2 H 0.12871 0.39230 0.94190 1.00000
H3 H 0.87129 0.60770 0.05810 1.00000
H4 H 0.62871 0.10770 0.05810 1.00000
O1 O 0.80447 0.52962 0.01842 1.00000
O2 O 0.69553 0.02962 0.01842 1.00000
O3 O 0.50167 0.76803 0.85368 1.00000
O4 O 0.05722 0.90940 0.78185 1.00000
O5 O 0.99833 0.26803 0.85368 1.00000
O6 O 0.44278 0.40940 0.78185 1.00000
O7 O 0.62898 0.62699 0.66366 1.00000
O8 O 0.41054 0.77419 0.59691 1.00000
O9 O 0.87102 0.12699 0.66366 1.00000
O10 O 0.08946 0.27419 0.59691 1.00000
O11 O 0.91054 0.72581 0.40309 1.00000
O12 O 0.12898 0.87301 0.33634 1.00000
O13 O 0.58946 0.22581 0.40309 1.00000
O14 O 0.37102 0.37301 0.33634 1.00000
O15 O 0.55722 0.59060 0.21815 1.00000
O16 O 0.00167 0.73197 0.14632 1.00000
O17 O 0.94278 0.09060 0.21815 1.00000
O18 O 0.49833 0.23197 0.14632 1.00000
O19 O 0.30447 0.97038 0.98158 1.00000
O20 O 0.19553 0.47038 0.98158 1.00000
