K(Cr5Se8)3
Alexandria ALEXAlex-ID: agm017629414 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB15C24_2_spg2
K(Cr5Se8)3
2024-10-14 06:25:25.822301
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017629414).
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 agm017629414
data_agm017629414
_cell_length_a 9.74671
_cell_length_b 10.93241
_cell_length_c 10.93412
_cell_angle_alpha 120.13729
_cell_angle_beta 112.59201
_cell_angle_gamma 89.33095
_cell_volume 906.00334
_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 0.00000 0.00000 0.00000 1.00000
Cr1 Cr 0.47703 0.00290 0.31558 1.00000
Cr2 Cr 0.47557 0.66714 0.98051 1.00000
Cr3 Cr 0.47516 0.33729 0.64919 1.00000
Cr4 Cr 0.52484 0.66271 0.35081 1.00000
Cr5 Cr 0.52443 0.33286 0.01949 1.00000
Cr6 Cr 0.52297 0.99710 0.68442 1.00000
Cr7 Cr 0.16174 0.59200 0.18429 1.00000
Cr8 Cr 0.16132 0.25897 0.84807 1.00000
Cr9 Cr 0.16146 0.92359 0.51565 1.00000
Cr10 Cr 0.83854 0.07641 0.48435 1.00000
Cr11 Cr 0.83868 0.74103 0.15193 1.00000
Cr12 Cr 0.83826 0.40800 0.81571 1.00000
Cr13 Cr 0.50000 0.00000 0.00000 1.00000
Cr14 Cr 0.49697 0.66456 0.66598 1.00000
Cr15 Cr 0.50303 0.33544 0.33402 1.00000
Se1 Se 0.34375 0.52291 0.37256 1.00000
Se2 Se 0.34388 0.18988 0.03982 1.00000
Se3 Se 0.34327 0.85600 0.70588 1.00000
Se4 Se 0.65673 0.14400 0.29412 1.00000
Se5 Se 0.65612 0.81012 0.96018 1.00000
Se6 Se 0.65625 0.47709 0.62744 1.00000
Se7 Se 0.34385 0.85270 0.37665 1.00000
Se8 Se 0.34416 0.51938 0.04320 1.00000
Se9 Se 0.34379 0.18609 0.70957 1.00000
Se10 Se 0.65621 0.81391 0.29043 1.00000
Se11 Se 0.65584 0.48062 0.95680 1.00000
Se12 Se 0.65615 0.14730 0.62335 1.00000
Se13 Se 0.99454 0.99421 0.33548 1.00000
Se14 Se 0.99447 0.66084 0.00245 1.00000
Se15 Se 0.99462 0.32852 0.66814 1.00000
Se16 Se 0.00538 0.67148 0.33186 1.00000
Se17 Se 0.00553 0.33916 0.99755 1.00000
Se18 Se 0.00546 0.00579 0.66452 1.00000
Se19 Se 0.32393 0.85469 0.02729 1.00000
Se20 Se 0.32094 0.52077 0.69373 1.00000
Se21 Se 0.32479 0.18960 0.36094 1.00000
Se22 Se 0.67521 0.81040 0.63906 1.00000
Se23 Se 0.67906 0.47923 0.30627 1.00000
Se24 Se 0.67607 0.14531 0.97271 1.00000
