K2VAsSe5
Alexandria ALEXAlex-ID: agm005156889 · Space group: Cmc2_1 (#36)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D5_219_spg36
KAsSe2 V2Se9 K3VSe4 VSe2
2023-01-09 10:36:22.189407
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005156889).
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 agm005156889
data_agm005156889
_cell_length_a 4.11486
_cell_length_b 9.84463
_cell_length_c 13.61773
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 102.06317
_cell_volume 539.46298
_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 0.87566 0.75133 0.81768 1.00000
K2 K 0.13927 0.27854 0.69108 1.00000
K3 K 0.12434 0.24867 0.31768 1.00000
K4 K 0.86073 0.72146 0.19108 1.00000
V1 V 0.79383 0.58766 0.53527 1.00000
V2 V 0.20617 0.41234 0.03527 1.00000
As1 As 0.56851 0.13702 0.92608 1.00000
As2 As 0.43149 0.86298 0.42608 1.00000
Se1 Se 0.32384 0.64768 0.00354 1.00000
Se2 Se 0.69204 0.38409 0.90078 1.00000
Se3 Se 0.51094 0.02187 0.77724 1.00000
Se4 Se 0.30918 0.61836 0.64513 1.00000
Se5 Se 0.93951 0.87903 0.52717 1.00000
Se6 Se 0.67616 0.35232 0.50354 1.00000
Se7 Se 0.30796 0.61591 0.40078 1.00000
Se8 Se 0.48906 0.97813 0.27724 1.00000
Se9 Se 0.69082 0.38164 0.14513 1.00000
Se10 Se 0.06049 0.12097 0.02717 1.00000
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