KAlI4
Alexandria ALEXAlex-ID: agm005755664 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_2631_spg14
KAlI4
2023-07-27 04:54:07.695912
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005755664).
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 agm005755664
data_agm005755664
_cell_length_a 8.74338
_cell_length_b 11.94908
_cell_length_c 11.99213
_cell_angle_alpha 90.00001
_cell_angle_beta 90.00000
_cell_angle_gamma 98.66354
_cell_volume 1238.58711
_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 0.35857 0.15299 0.80189 1.00000
K2 K 0.14143 0.34701 0.30189 1.00000
K3 K 0.85857 0.65299 0.69811 1.00000
K4 K 0.64143 0.84701 0.19811 1.00000
Al1 Al 0.87391 0.21820 0.82868 1.00000
Al2 Al 0.62609 0.28180 0.32868 1.00000
Al3 Al 0.37391 0.71820 0.67132 1.00000
Al4 Al 0.12609 0.78180 0.17132 1.00000
I1 I 0.69956 0.03878 0.89746 1.00000
I2 I 0.00099 0.16926 0.64613 1.00000
I3 I 0.80301 0.13080 0.29511 1.00000
I4 I 0.41052 0.20923 0.46740 1.00000
I5 I 0.69699 0.36920 0.79511 1.00000
I6 I 0.08948 0.29077 0.96740 1.00000
I7 I 0.49901 0.33074 0.14613 1.00000
I8 I 0.80044 0.46122 0.39746 1.00000
I9 I 0.19956 0.53878 0.60254 1.00000
I10 I 0.50099 0.66926 0.85387 1.00000
I11 I 0.91052 0.70923 0.03260 1.00000
I12 I 0.30301 0.63080 0.20489 1.00000
I13 I 0.58948 0.79077 0.53260 1.00000
I14 I 0.19699 0.86920 0.70489 1.00000
I15 I 0.99901 0.83074 0.35387 1.00000
I16 I 0.30044 0.96122 0.10254 1.00000
