K4Sr2HfAs4
Alexandria ALEXAlex-ID: agm020014474 · Space group: Cc (#9)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4D4_82_spg1
K4Sr2HfAs4
2024-09-04 14:05:11.400700
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm020014474).
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 agm020014474
data_agm020014474
_cell_length_a 10.45552
_cell_length_b 10.45552
_cell_length_c 7.87323
_cell_angle_alpha 88.14321
_cell_angle_beta 88.14321
_cell_angle_gamma 119.72610
_cell_volume 745.86569
_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 0.05893 0.52558 0.60774 1.00000
K2 K 0.52558 0.05893 0.10774 1.00000
K3 K 0.27869 0.13372 0.82177 1.00000
K4 K 0.87387 0.73359 0.75361 1.00000
K5 K 0.86014 0.14468 0.79299 1.00000
K6 K 0.73359 0.87387 0.25361 1.00000
K7 K 0.13372 0.27869 0.32177 1.00000
K8 K 0.14468 0.86014 0.29299 1.00000
Sr1 Sr 0.46813 0.92981 0.59863 1.00000
Sr2 Sr 0.46964 0.52531 0.61514 1.00000
Sr3 Sr 0.92981 0.46813 0.09863 1.00000
Sr4 Sr 0.52531 0.46964 0.11514 1.00000
Hf1 Hf 0.66476 0.33532 0.50148 1.00000
Hf2 Hf 0.33532 0.66476 0.00148 1.00000
As1 As 0.66974 0.35803 0.83287 1.00000
As2 As 0.35803 0.66974 0.33287 1.00000
As3 As 0.60162 0.79137 0.85937 1.00000
As4 As 0.20116 0.39151 0.91484 1.00000
As5 As 0.19313 0.79225 0.89201 1.00000
As6 As 0.39151 0.20116 0.41484 1.00000
As7 As 0.79137 0.60162 0.35937 1.00000
As8 As 0.79225 0.19313 0.39201 1.00000
