Ba2TbF8
Alexandria ALEXAlex-ID: agm005882001 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C8_310_spg12
BaF6 Ba4Tb3F17 BaF2
2023-10-14 22:59:35.246573
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005882001).
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 agm005882001
data_agm005882001
_cell_length_a 4.18165
_cell_length_b 5.11832
_cell_length_c 9.37826
_cell_angle_alpha 106.89961
_cell_angle_beta 102.88200
_cell_angle_gamma 90.00000
_cell_volume 186.76905
_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
Tb1 Tb 0.50000 0.00000 0.00000 1.00000
Ba1 Ba 0.16871 0.65813 0.33741 1.00000
Ba2 Ba 0.83129 0.34187 0.66259 1.00000
F1 F 0.59468 0.80503 0.18936 1.00000
F2 F 0.38527 0.68078 0.77054 1.00000
F3 F 0.23286 0.22358 0.46573 1.00000
F4 F 0.01020 0.23751 0.02040 1.00000
F5 F 0.76714 0.77642 0.53427 1.00000
F6 F 0.61473 0.31922 0.22946 1.00000
F7 F 0.40532 0.19497 0.81064 1.00000
F8 F 0.98980 0.76249 0.97960 1.00000
Get direct link