KErF4
Alexandria ALEXAlex-ID: agm005803664 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_370_spg62
KErF4
2023-07-28 07:29:03.862527
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005803664).
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 agm005803664
data_agm005803664
_cell_length_a 3.58473
_cell_length_b 6.09202
_cell_length_c 15.53284
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 339.20949
_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 0.75000 0.77583 0.79858 1.00000
K2 K 0.25000 0.22417 0.20142 1.00000
K3 K 0.25000 0.72417 0.29858 1.00000
K4 K 0.75000 0.27583 0.70142 1.00000
Er1 Er 0.75000 0.24952 0.44166 1.00000
Er2 Er 0.25000 0.75048 0.55834 1.00000
Er3 Er 0.25000 0.25048 0.94166 1.00000
Er4 Er 0.75000 0.74952 0.05834 1.00000
F1 F 0.75000 0.89143 0.62932 1.00000
F2 F 0.25000 0.10857 0.37068 1.00000
F3 F 0.25000 0.60857 0.12932 1.00000
F4 F 0.75000 0.39143 0.87068 1.00000
F5 F 0.75000 0.86731 0.46387 1.00000
F6 F 0.25000 0.13269 0.53613 1.00000
F7 F 0.25000 0.63269 0.96387 1.00000
F8 F 0.75000 0.36731 0.03613 1.00000
F9 F 0.75000 0.99596 0.94412 1.00000
F10 F 0.25000 0.00404 0.05588 1.00000
F11 F 0.25000 0.50404 0.44412 1.00000
F12 F 0.75000 0.49596 0.55588 1.00000
F13 F 0.75000 0.90383 0.18616 1.00000
F14 F 0.25000 0.09617 0.81384 1.00000
F15 F 0.25000 0.59617 0.68616 1.00000
F16 F 0.75000 0.40383 0.31384 1.00000
