Tm2HCl2
Alexandria ALEXAlex-ID: agm002216319 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2_141_spg12
TmHCl Tm TmCl3
2018-07-11 15:09:27
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002216319).
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 agm002216319
data_agm002216319
_cell_length_a 3.67186
_cell_length_b 6.39546
_cell_length_c 10.01271
_cell_angle_alpha 94.63866
_cell_angle_beta 100.62636
_cell_angle_gamma 90.00242
_cell_volume 230.31487
_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
H1 H 0.79139 0.43149 0.58224 1.00000
H2 H 0.20861 0.56851 0.41776 1.00000
Tm1 Tm 0.81880 0.10008 0.63674 1.00000
Tm2 Tm 0.18120 0.89992 0.36326 1.00000
Tm3 Tm 0.68087 0.39462 0.36258 1.00000
Tm4 Tm 0.31913 0.60538 0.63742 1.00000
Cl1 Cl 0.90651 0.78880 0.81115 1.00000
Cl2 Cl 0.09349 0.21120 0.18885 1.00000
Cl3 Cl 0.59309 0.70491 0.18807 1.00000
Cl4 Cl 0.40691 0.29509 0.81193 1.00000
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