KP3
Alexandria ALEXAlex-ID: agm005493348 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3_1206_spg63
K3P7 K3P11
2023-03-19 03:06:31.216404
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005493348).
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 agm005493348
data_agm005493348
_cell_length_a 8.32770
_cell_length_b 8.32770
_cell_length_c 3.79287
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 132.91064
_cell_volume 192.65301
_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 0.67436 0.32564 0.25000 1.00000
K2 K 0.32564 0.67436 0.75000 1.00000
P1 P 0.14182 0.85818 0.25000 1.00000
P2 P 0.85818 0.14182 0.75000 1.00000
P3 P 0.09337 0.22689 0.25000 1.00000
P4 P 0.90663 0.77311 0.75000 1.00000
P5 P 0.22689 0.09337 0.75000 1.00000
P6 P 0.77311 0.90663 0.25000 1.00000
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