K17H2
Alexandria ALEXAlex-ID: agm007272415 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B17_16_spg12
KH K
2025-01-14 18:34:21
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007272415).
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 agm007272415
data_agm007272415
_cell_length_a 9.68234
_cell_length_b 11.96930
_cell_length_c 11.72620
_cell_angle_alpha 96.36476
_cell_angle_beta 90.10869
_cell_angle_gamma 113.61206
_cell_volume 1235.90980
_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 0.99800 0.99586 0.16592 1.00000
K2 K 0.83033 0.22025 0.03722 1.00000
K3 K 0.39002 0.21753 0.03793 1.00000
K4 K 0.88562 0.30320 0.44143 1.00000
K5 K 0.41425 0.30271 0.44094 1.00000
K6 K 0.52593 0.05566 0.69375 1.00000
K7 K 0.47407 0.94434 0.30625 1.00000
K8 K 0.11438 0.69680 0.55857 1.00000
K9 K 0.58575 0.69729 0.55906 1.00000
K10 K 0.16967 0.77975 0.96278 1.00000
K11 K 0.60998 0.78247 0.96207 1.00000
K12 K 0.00200 0.00414 0.83408 1.00000
K13 K 0.73622 0.47169 0.79203 1.00000
K14 K 0.78893 0.58131 0.22574 1.00000
K15 K 0.00000 0.00000 0.50000 1.00000
K16 K 0.21107 0.41869 0.77426 1.00000
K17 K 0.26378 0.52831 0.20797 1.00000
H1 H 0.17545 0.99923 0.00016 1.00000
H2 H 0.82455 0.00077 0.99984 1.00000
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