K2H5W2
Alexandria ALEXAlex-ID: agm007136707 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_1008_spg46
K3H8W KH W
2024-01-27 17:54:12.390884
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007136707).
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 agm007136707
data_agm007136707
_cell_length_a 8.70728
_cell_length_b 8.70728
_cell_length_c 8.70728
_cell_angle_alpha 143.47915
_cell_angle_beta 143.31714
_cell_angle_gamma 52.72835
_cell_volume 233.28666
_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 0.61946 0.62650 0.99296 1.00000
K2 K 0.38054 0.37350 0.00704 1.00000
K3 K 0.13354 0.12650 0.00704 1.00000
K4 K 0.86646 0.87350 0.99296 1.00000
H1 H 0.75063 0.25063 0.00000 1.00000
H2 H 0.24937 0.24937 0.50000 1.00000
H3 H 0.75063 0.75063 0.50000 1.00000
H4 H 0.24937 0.74937 0.00000 1.00000
H5 H 0.63131 0.12458 0.50673 1.00000
H6 H 0.36869 0.87542 0.49327 1.00000
H7 H 0.11784 0.62458 0.49327 1.00000
H8 H 0.88216 0.37542 0.50673 1.00000
H9 H 0.50000 0.00000 0.00000 1.00000
H10 H 0.50000 0.50000 0.50000 1.00000
W1 W 0.50000 0.00000 0.50000 1.00000
W2 W 0.00000 0.50000 0.50000 1.00000
W3 W 0.76851 0.25000 0.51851 1.00000
W4 W 0.23149 0.75000 0.48149 1.00000
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