Tm4C2Cl5
Alexandria ALEXAlex-ID: agm002201833 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C5_5_spg12
Tm2CCl2 C TmCl3
2018-07-14 16:59:31
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002201833).
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 agm002201833
data_agm002201833
_cell_length_a 3.61658
_cell_length_b 7.47189
_cell_length_c 9.43210
_cell_angle_alpha 101.25707
_cell_angle_beta 101.03667
_cell_angle_gamma 89.99841
_cell_volume 245.16901
_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
C1 C 0.53959 0.51530 0.07937 1.00000
C2 C 0.46041 0.48470 0.92063 1.00000
Tm1 Tm 0.99525 0.29364 0.99046 1.00000
Tm2 Tm 0.34353 0.41503 0.68652 1.00000
Tm3 Tm 0.00475 0.70636 0.00954 1.00000
Tm4 Tm 0.65647 0.58497 0.31348 1.00000
Cl1 Cl 0.18107 0.33457 0.36244 1.00000
Cl2 Cl 0.15693 0.84696 0.31430 1.00000
Cl3 Cl 0.84307 0.15304 0.68570 1.00000
Cl4 Cl 0.81893 0.66543 0.63756 1.00000
Cl5 Cl 0.50000 0.00000 0.00000 1.00000
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