Tm4C2I5
Alexandria ALEXAlex-ID: agm005669980 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C5_5_spg12
Tm2CI2 TmCI TmI3
2023-06-21 11:21:06.962037
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005669980).
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 agm005669980
data_agm005669980
_cell_length_a 3.86207
_cell_length_b 8.44353
_cell_length_c 10.02499
_cell_angle_alpha 102.35532
_cell_angle_beta 101.10588
_cell_angle_gamma 89.99999
_cell_volume 313.06860
_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
Tm1 Tm 0.64807 0.57589 0.29613 1.00000
Tm2 Tm 0.00106 0.68266 0.00211 1.00000
Tm3 Tm 0.35193 0.42411 0.70387 1.00000
Tm4 Tm 0.99894 0.31734 0.99789 1.00000
C1 C 0.53703 0.51692 0.07407 1.00000
C2 C 0.46297 0.48308 0.92593 1.00000
I1 I 0.16116 0.85155 0.32231 1.00000
I2 I 0.83884 0.14845 0.67769 1.00000
I3 I 0.17027 0.31590 0.34054 1.00000
I4 I 0.50000 0.00000 0.00000 1.00000
I5 I 0.82973 0.68410 0.65946 1.00000
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