CsTbHg2F8
Alexandria ALEXAlex-ID: agm004911892 · Space group: P2/m (#10)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_526_spg10
CsHgF3 HgF2 CsTb2F7
2022-12-20 04:17:58.442643
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004911892).
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 agm004911892
data_agm004911892
_cell_length_a 4.13852
_cell_length_b 5.72419
_cell_length_c 9.58820
_cell_angle_alpha 93.60225
_cell_angle_beta 89.97287
_cell_angle_gamma 90.03151
_cell_volume 226.69280
_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
Cs1 Cs 0.00000 0.00000 0.50000 1.00000
Tb1 Tb 0.00000 0.00000 0.00000 1.00000
Hg1 Hg 0.50021 0.51963 0.79120 1.00000
Hg2 Hg 0.49979 0.48037 0.20880 1.00000
F1 F 0.99991 0.71116 0.14534 1.00000
F2 F 0.49999 0.78605 0.97000 1.00000
F3 F 0.99981 0.21400 0.20745 1.00000
F4 F 0.00009 0.28884 0.85466 1.00000
F5 F 0.50001 0.21395 0.03000 1.00000
F6 F 0.00019 0.78600 0.79255 1.00000
F7 F 0.49983 0.68788 0.39469 1.00000
F8 F 0.50017 0.31212 0.60531 1.00000
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