K9As
Alexandria ALEXAlex-ID: agm071482452 · Space group: P4_332 (#212)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB9_66_spg212
K3As K
2024-09-12 14:50:01.101188
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm071482452).
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 agm071482452
data_agm071482452
_cell_length_a 14.14463
_cell_length_b 14.14463
_cell_length_c 14.14463
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 2829.92446
_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 0.62500 0.01473 0.23527 1.00000
K2 K 0.87500 0.98527 0.73527 1.00000
K3 K 0.37500 0.51473 0.26473 1.00000
K4 K 0.12500 0.48527 0.76473 1.00000
K5 K 0.23527 0.62500 0.01473 1.00000
K6 K 0.73527 0.87500 0.98527 1.00000
K7 K 0.26473 0.37500 0.51473 1.00000
K8 K 0.76473 0.12500 0.48527 1.00000
K9 K 0.01473 0.23527 0.62500 1.00000
K10 K 0.98527 0.73527 0.87500 1.00000
K11 K 0.51473 0.26473 0.37500 1.00000
K12 K 0.48527 0.76473 0.12500 1.00000
K13 K 0.37431 0.87410 0.39935 1.00000
K14 K 0.12569 0.12590 0.89935 1.00000
K15 K 0.62569 0.37410 0.10065 1.00000
K16 K 0.87431 0.62590 0.60065 1.00000
K17 K 0.39935 0.37431 0.87410 1.00000
K18 K 0.89935 0.12569 0.12590 1.00000
K19 K 0.10065 0.62569 0.37410 1.00000
K20 K 0.60065 0.87431 0.62590 1.00000
K21 K 0.87410 0.39935 0.37431 1.00000
K22 K 0.12590 0.89935 0.12569 1.00000
K23 K 0.37410 0.10065 0.62569 1.00000
K24 K 0.62590 0.60065 0.87431 1.00000
K25 K 0.12410 0.12431 0.35065 1.00000
K26 K 0.37590 0.87569 0.85065 1.00000
K27 K 0.62410 0.37569 0.64935 1.00000
K28 K 0.87590 0.62431 0.14935 1.00000
K29 K 0.62431 0.14935 0.87590 1.00000
K30 K 0.37569 0.64935 0.62410 1.00000
K31 K 0.87569 0.85065 0.37590 1.00000
K32 K 0.12431 0.35065 0.12410 1.00000
K33 K 0.64935 0.62410 0.37569 1.00000
K34 K 0.14935 0.87590 0.62431 1.00000
K35 K 0.35065 0.12410 0.12431 1.00000
K36 K 0.85065 0.37590 0.87569 1.00000
As1 As 0.12500 0.12500 0.12500 1.00000
As2 As 0.37500 0.87500 0.62500 1.00000
As3 As 0.87500 0.62500 0.37500 1.00000
As4 As 0.62500 0.37500 0.87500 1.00000
