KAsO2
Alexandria ALEXAlex-ID: agm005774936 · Space group: P2/c (#13)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_7593_spg13
KAsO2
2023-07-13 06:45:08.783132
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005774936).
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 agm005774936
data_agm005774936
_cell_length_a 5.26108
_cell_length_b 6.05011
_cell_length_c 12.53708
_cell_angle_alpha 123.27375
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 333.63494
_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 0.74901 0.37845 0.36187 1.00000
K2 K 0.25099 0.62155 0.63813 1.00000
K3 K 0.74901 0.62155 0.13813 1.00000
K4 K 0.25099 0.37845 0.86187 1.00000
As1 As 0.77364 0.12565 0.57028 1.00000
As2 As 0.22636 0.87435 0.42972 1.00000
As3 As 0.77364 0.87435 0.92972 1.00000
As4 As 0.22636 0.12565 0.07028 1.00000
O1 O 0.12199 0.89477 0.89596 1.00000
O2 O 0.87801 0.10523 0.10404 1.00000
O3 O 0.12199 0.10523 0.60404 1.00000
O4 O 0.87801 0.89477 0.39596 1.00000
O5 O 0.24709 0.42654 0.08759 1.00000
O6 O 0.75291 0.57346 0.91241 1.00000
O7 O 0.24709 0.57346 0.41241 1.00000
O8 O 0.75291 0.42654 0.58759 1.00000
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