Tb(HCl2)2
Alexandria ALEXAlex-ID: agm005997680 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_1851_spg12
H3Cl HCl TbCl3
2023-07-10 06:48:46.653228
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005997680).
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 agm005997680
data_agm005997680
_cell_length_a 3.57617
_cell_length_b 7.46610
_cell_length_c 10.18768
_cell_angle_alpha 140.22090
_cell_angle_beta 99.03981
_cell_angle_gamma 91.45053
_cell_volume 167.22426
_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 1.00000 0.50000 0.00000 1.00000
H1 H 0.24758 0.21360 0.46786 1.00000
H2 H 0.75243 0.78640 0.53214 1.00000
Cl1 Cl 0.62312 0.60801 0.26295 1.00000
Cl2 Cl 0.84828 0.91586 0.73222 1.00000
Cl3 Cl 0.37688 0.39199 0.73705 1.00000
Cl4 Cl 0.15172 0.08414 0.26779 1.00000
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