KTmBeF6
Alexandria ALEXAlex-ID: agm005282586 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD6_7_spg11
KTmBeF6
2023-05-07 12:31:14.810771
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005282586).
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 agm005282586
data_agm005282586
_cell_length_a 5.77402
_cell_length_b 6.40370
_cell_length_c 7.06871
_cell_angle_alpha 66.75567
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 240.15099
_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 0.92778 0.20292 1.00000
K2 K 0.25000 0.07222 0.79708 1.00000
Tm1 Tm 0.75000 0.60887 0.82312 1.00000
Tm2 Tm 0.25000 0.39113 0.17688 1.00000
Be1 Be 0.75000 0.23098 0.53833 1.00000
Be2 Be 0.25000 0.76902 0.46167 1.00000
F1 F 0.96876 0.23733 0.40521 1.00000
F2 F 0.03124 0.76267 0.59479 1.00000
F3 F 0.46876 0.76267 0.59479 1.00000
F4 F 0.53124 0.23733 0.40521 1.00000
F5 F 0.75000 0.43650 0.60011 1.00000
F6 F 0.25000 0.56350 0.39989 1.00000
F7 F 0.99831 0.32183 0.96733 1.00000
F8 F 0.00169 0.67817 0.03267 1.00000
F9 F 0.49831 0.67817 0.03267 1.00000
F10 F 0.50169 0.32183 0.96733 1.00000
F11 F 0.75000 0.00472 0.73644 1.00000
F12 F 0.25000 0.99528 0.26356 1.00000
Get direct link