K
Alexandria ALEXAlex-ID: agm010242012 · Space group: P2/m (#10)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A_1080_spg10
K
2025-01-14 19:40:21
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010242012).
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 agm010242012
data_agm010242012
_cell_length_a 7.60868
_cell_length_b 8.05944
_cell_length_c 15.58213
_cell_angle_alpha 94.29205
_cell_angle_beta 91.01584
_cell_angle_gamma 88.38628
_cell_volume 952.34907
_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 0.50000 0.00000 0.00000 1.00000
K2 K 0.99814 0.26409 0.08263 1.00000
K3 K 0.00186 0.73591 0.91737 1.00000
K4 K 0.99808 0.26811 0.41411 1.00000
K5 K 0.00192 0.73189 0.58589 1.00000
K6 K 0.99606 0.78047 0.24790 1.00000
K7 K 0.00394 0.21953 0.75210 1.00000
K8 K 0.50385 0.85192 0.72400 1.00000
K9 K 0.50376 0.42356 0.86360 1.00000
K10 K 0.49624 0.57644 0.13640 1.00000
K11 K 0.49615 0.14808 0.27600 1.00000
K12 K 0.49845 0.71703 0.42424 1.00000
K13 K 0.50155 0.28297 0.57576 1.00000
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