K3(AlP2)2
Alexandria ALEXAlex-ID: agm005687829 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_599_spg12
K2P3 K3AlP2 AlP
2023-06-26 16:47:09.521128
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005687829).
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 agm005687829
data_agm005687829
_cell_length_a 3.95241
_cell_length_b 7.57330
_cell_length_c 8.96314
_cell_angle_alpha 118.57839
_cell_angle_beta 102.73526
_cell_angle_gamma 90.00172
_cell_volume 228.05838
_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 0.14871 0.52302 0.29747 1.00000
K2 K 0.85129 0.47698 0.70253 1.00000
K3 K 0.00000 0.00000 0.00000 1.00000
Al1 Al 0.67301 0.92654 0.34602 1.00000
Al2 Al 0.32699 0.07346 0.65398 1.00000
P1 P 0.51865 0.65786 0.03736 1.00000
P2 P 0.20389 0.13769 0.40776 1.00000
P3 P 0.48135 0.34214 0.96264 1.00000
P4 P 0.79611 0.86231 0.59224 1.00000
Get direct link