K8AlZn4
Alexandria ALEXAlex-ID: agm097765746 · Space group: Pm (#6)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_1386_spg8
Al3Zn4 K KZn13
2025-06-02 11:18:51
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097765746).
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 agm097765746
data_agm097765746
_cell_length_a 4.86804
_cell_length_b 12.04257
_cell_length_c 11.86448
_cell_angle_alpha 123.91091
_cell_angle_beta 90.02242
_cell_angle_gamma 89.93171
_cell_volume 577.23216
_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 0.80547 0.78311 0.13666 1.00000
K2 K 0.80766 0.32647 0.12203 1.00000
K3 K 0.80675 0.36246 0.71396 1.00000
K4 K 0.80792 0.86016 0.71018 1.00000
K5 K 0.30765 0.17213 0.34890 1.00000
K6 K 0.30720 0.68050 0.37101 1.00000
K7 K 0.30600 0.66178 0.79559 1.00000
K8 K 0.30784 0.13759 0.76862 1.00000
Al1 Al 0.30940 0.01833 0.99594 1.00000
Zn1 Zn 0.80954 0.00877 0.04499 1.00000
Zn2 Zn 0.30822 0.49813 0.99545 1.00000
Zn3 Zn 0.80737 0.50027 0.49928 1.00000
Zn4 Zn 0.80898 0.99032 0.49741 1.00000
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