Cs5K(W2N5)2
Alexandria ALEXAlex-ID: agm021215005 · Space group: I4_1/a (#88)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C5D10_9_spg80
K19(W2N5)6 Cs19(W2N5)6 W2N3 CsN6
2024-10-01 00:33:10.657200
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm021215005).
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 agm021215005
data_agm021215005
_cell_length_a 11.33809
_cell_length_b 11.33809
_cell_length_c 11.33809
_cell_angle_alpha 98.94798
_cell_angle_beta 98.94798
_cell_angle_gamma 133.54505
_cell_volume 970.84079
_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
Cs1 Cs 0.12391 0.32958 0.57671 1.00000
Cs2 Cs 0.75287 0.54720 0.42329 1.00000
Cs3 Cs 0.79720 0.87391 0.29433 1.00000
Cs4 Cs 0.57958 0.50287 0.70567 1.00000
Cs5 Cs 0.49713 0.20280 0.07671 1.00000
Cs6 Cs 0.12609 0.42042 0.92329 1.00000
Cs7 Cs 0.67042 0.24713 0.79433 1.00000
Cs8 Cs 0.45280 0.87609 0.20567 1.00000
Cs9 Cs 0.25000 0.75000 0.50000 1.00000
Cs10 Cs 0.00000 0.00000 0.00000 1.00000
K1 K 0.50000 0.50000 0.00000 1.00000
K2 K 0.75000 0.25000 0.50000 1.00000
W1 W 0.10095 0.00162 0.67782 1.00000
W2 W 0.32379 0.42312 0.32218 1.00000
W3 W 0.67312 0.85095 0.59933 1.00000
W4 W 0.25162 0.07379 0.40067 1.00000
W5 W 0.57688 0.89905 0.90067 1.00000
W6 W 0.99838 0.67621 0.09933 1.00000
W7 W 0.92621 0.32688 0.17782 1.00000
W8 W 0.14905 0.74838 0.82218 1.00000
N1 N 0.24780 0.22421 0.78319 1.00000
N2 N 0.44102 0.46461 0.21681 1.00000
N3 N 0.71461 0.99780 0.52359 1.00000
N4 N 0.47421 0.19102 0.47641 1.00000
N5 N 0.80898 0.28539 0.28319 1.00000
N6 N 0.00220 0.52579 0.71681 1.00000
N7 N 0.77579 0.55898 0.02359 1.00000
N8 N 0.53539 0.75220 0.97641 1.00000
N9 N 0.13668 0.99497 0.52032 1.00000
N10 N 0.47465 0.61636 0.47968 1.00000
N11 N 0.86636 0.88668 0.64171 1.00000
N12 N 0.24497 0.22465 0.35829 1.00000
N13 N 0.77535 0.13364 0.02032 1.00000
N14 N 0.11332 0.75503 0.97968 1.00000
N15 N 0.00503 0.52535 0.14171 1.00000
N16 N 0.38364 0.86332 0.85829 1.00000
N17 N 0.62500 0.87500 0.75000 1.00000
N18 N 0.12500 0.87500 0.25000 1.00000
N19 N 0.12500 0.37500 0.25000 1.00000
N20 N 0.12500 0.87500 0.75000 1.00000
