K5P4
Alexandria ALEXAlex-ID: agm002178131 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A4B5_0_spg2
K5P4
2018-06-09 15:44:38
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002178131).
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
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# CIF generated by HEAS from Alexandria entry agm002178131
data_agm002178131
_cell_length_a 6.07349
_cell_length_b 6.23186
_cell_length_c 7.39522
_cell_angle_alpha 95.40205
_cell_angle_beta 90.48803
_cell_angle_gamma 97.38584
_cell_volume 276.28711
_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
P1 P 0.50457 0.46201 0.35180 1.00000
P2 P 0.74093 0.80132 0.77180 1.00000
P3 P 0.25683 0.19596 0.23531 1.00000
P4 P 0.49319 0.53530 0.65525 1.00000
K1 K 0.73370 0.30490 0.97281 1.00000
K2 K 0.71698 0.96562 0.33903 1.00000
K3 K 0.99890 0.49873 0.50348 1.00000
K4 K 0.28073 0.03180 0.66825 1.00000
K5 K 0.26417 0.69236 0.03425 1.00000
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