K4Er2C3O9F4
Alexandria ALEXAlex-ID: agm010230930 · Space group: P2_1 (#4)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4D4E9_1_spg4
K2ErF5 K5Er(CO3)4 KEr(CO3)2
2024-09-14 16:10:33.006115
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010230930).
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 agm010230930
data_agm010230930
_cell_length_a 9.32546
_cell_length_b 6.91176
_cell_length_c 10.37866
_cell_angle_alpha 79.04996
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 656.78006
_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 0.99123 0.50737 0.74556 1.00000
K2 K 0.49123 0.49263 0.25444 1.00000
K3 K 0.29373 0.58813 0.93694 1.00000
K4 K 0.80863 0.62611 0.43050 1.00000
K5 K 0.35782 0.98435 0.26490 1.00000
K6 K 0.85782 0.01565 0.73510 1.00000
K7 K 0.30863 0.37389 0.56950 1.00000
K8 K 0.79373 0.41187 0.06306 1.00000
Er1 Er 0.48351 0.84698 0.61682 1.00000
Er2 Er 0.01384 0.85375 0.11061 1.00000
Er3 Er 0.98351 0.15302 0.38318 1.00000
Er4 Er 0.51384 0.14625 0.88939 1.00000
C1 C 0.13901 0.48630 0.24481 1.00000
C2 C 0.63901 0.51370 0.75519 1.00000
C3 C 0.18610 0.87439 0.58745 1.00000
C4 C 0.18046 0.12239 0.92641 1.00000
C5 C 0.68046 0.87761 0.07359 1.00000
C6 C 0.68610 0.12561 0.41255 1.00000
O1 O 0.99975 0.50269 0.24946 1.00000
O2 O 0.21200 0.63004 0.17817 1.00000
O3 O 0.49975 0.49731 0.75054 1.00000
O4 O 0.69915 0.67410 0.69288 1.00000
O5 O 0.24296 0.71485 0.65624 1.00000
O6 O 0.23078 0.00292 0.02909 1.00000
O7 O 0.05020 0.89855 0.57327 1.00000
O8 O 0.76873 0.76764 0.15288 1.00000
O9 O 0.04365 0.12743 0.90862 1.00000
O10 O 0.27636 0.01048 0.53197 1.00000
O11 O 0.77636 0.98952 0.46803 1.00000
O12 O 0.54365 0.87257 0.09138 1.00000
O13 O 0.55020 0.10145 0.42673 1.00000
O14 O 0.73078 0.99708 0.97091 1.00000
O15 O 0.19915 0.32590 0.30712 1.00000
O16 O 0.26873 0.23236 0.84712 1.00000
O17 O 0.71200 0.36996 0.82183 1.00000
O18 O 0.74296 0.28515 0.34376 1.00000
F1 F 0.48503 0.67627 0.46010 1.00000
F2 F 0.00031 0.68534 0.95406 1.00000
F3 F 0.07505 0.88122 0.31772 1.00000
F4 F 0.43681 0.87297 0.82715 1.00000
F5 F 0.57505 0.11878 0.68228 1.00000
F6 F 0.93681 0.12703 0.17285 1.00000
F7 F 0.98503 0.32373 0.53990 1.00000
F8 F 0.50031 0.31466 0.04594 1.00000
