KLa
Alexandria ALEXAlex-ID: agm005443087 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB_1532_spg8
La K
2023-03-22 20:42:02.897023
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005443087).
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 agm005443087
data_agm005443087
_cell_length_a 10.10773
_cell_length_b 10.10773
_cell_length_c 8.07069
_cell_angle_alpha 78.73603
_cell_angle_beta 78.73603
_cell_angle_gamma 21.11640
_cell_volume 291.13333
_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 0.02647 0.02647 0.94152 1.00000
K2 K 0.36201 0.36201 0.29131 1.00000
K3 K 0.35177 0.35177 0.77615 1.00000
La1 La 0.68209 0.68209 0.59307 1.00000
La2 La 0.06020 0.06020 0.42704 1.00000
La3 La 0.68413 0.68413 0.13757 1.00000
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