K2Na3WSe6
Alexandria ALEXAlex-ID: agm004637166 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_208_spg12
NaSe K2WSe4 Na2Se
2022-06-27 23:17:36.337154
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004637166).
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 agm004637166
data_agm004637166
_cell_length_a 7.89964
_cell_length_b 7.89964
_cell_length_c 6.52458
_cell_angle_alpha 103.80184
_cell_angle_beta 103.80184
_cell_angle_gamma 117.32234
_cell_volume 321.43917
_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 0.33971 0.66029 0.00000 1.00000
K2 K 0.66029 0.33971 0.00000 1.00000
Na1 Na 0.20075 0.79925 0.50000 1.00000
Na2 Na 0.79925 0.20075 0.50000 1.00000
Na3 Na 0.50000 0.50000 0.50000 1.00000
W1 W 0.00000 0.00000 0.00000 1.00000
Se1 Se 0.91359 0.63875 0.76325 1.00000
Se2 Se 0.87035 0.87035 0.29181 1.00000
Se3 Se 0.08641 0.36125 0.23675 1.00000
Se4 Se 0.63875 0.91359 0.76325 1.00000
Se5 Se 0.12965 0.12965 0.70819 1.00000
Se6 Se 0.36125 0.08641 0.23675 1.00000
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