KP7
Alexandria ALEXAlex-ID: agm010128630 · Space group: Pbcm (#57)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB7_25_spg57
KP7
2025-01-14 20:09:45
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010128630).
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 agm010128630
data_agm010128630
_cell_length_a 9.13057
_cell_length_b 9.30504
_cell_length_c 9.75876
_cell_angle_alpha 89.99549
_cell_angle_beta 89.98358
_cell_angle_gamma 89.98709
_cell_volume 829.10785
_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 0.74990 0.80978 0.99992 1.00000
K2 K 0.24990 0.19027 0.50001 1.00000
K3 K 0.24991 0.19025 0.00013 1.00000
K4 K 0.74990 0.80977 0.49993 1.00000
P1 P 0.14605 0.56550 0.24994 1.00000
P2 P 0.85449 0.43424 0.75001 1.00000
P3 P 0.35453 0.56572 0.74994 1.00000
P4 P 0.64602 0.43453 0.25004 1.00000
P5 P 0.37769 0.83053 0.36485 1.00000
P6 P 0.62197 0.16993 0.86507 1.00000
P7 P 0.12195 0.83013 0.63507 1.00000
P8 P 0.87775 0.16943 0.13507 1.00000
P9 P 0.62199 0.16988 0.63520 1.00000
P10 P 0.37772 0.83056 0.13498 1.00000
P11 P 0.87777 0.16944 0.36493 1.00000
P12 P 0.12194 0.83010 0.86493 1.00000
P13 P 0.01220 0.75706 0.24991 1.00000
P14 P 0.98772 0.24229 0.75006 1.00000
P15 P 0.48770 0.75764 0.74991 1.00000
P16 P 0.51224 0.24299 0.25011 1.00000
P17 P 0.18242 0.91664 0.24993 1.00000
P18 P 0.81700 0.08322 0.75009 1.00000
P19 P 0.31694 0.91675 0.74996 1.00000
P20 P 0.68250 0.08337 0.25006 1.00000
P21 P 0.31897 0.60336 0.09373 1.00000
P22 P 0.68153 0.39688 0.59384 1.00000
P23 P 0.18155 0.60309 0.90619 1.00000
P24 P 0.81891 0.39664 0.40620 1.00000
P25 P 0.68151 0.39693 0.90626 1.00000
P26 P 0.31890 0.60334 0.40613 1.00000
P27 P 0.81892 0.39664 0.09381 1.00000
P28 P 0.18155 0.60311 0.59378 1.00000
