Tb3C2Cl
Alexandria ALEXAlex-ID: agm005804890 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_793_spg2
Tb2CCl Tb4C5 Tb2C
2023-08-07 08:10:55.001719
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005804890).
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 agm005804890
data_agm005804890
_cell_length_a 3.67843
_cell_length_b 6.62018
_cell_length_c 10.69146
_cell_angle_alpha 114.66016
_cell_angle_beta 90.00000
_cell_angle_gamma 106.13011
_cell_volume 225.28484
_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 0.64102 0.28203 0.09574 1.00000
Tb2 Tb 0.97584 0.95169 0.72670 1.00000
Tb3 Tb 0.66477 0.32954 0.56956 1.00000
Tb4 Tb 0.02416 0.04831 0.27330 1.00000
Tb5 Tb 0.35898 0.71797 0.90426 1.00000
Tb6 Tb 0.33523 0.67046 0.43044 1.00000
C1 C 0.00000 0.00000 0.00000 1.00000
C2 C 0.00000 0.00000 0.50000 1.00000
C3 C 0.66509 0.33018 0.33216 1.00000
C4 C 0.33491 0.66982 0.66784 1.00000
Cl1 Cl 0.32912 0.65823 0.15746 1.00000
Cl2 Cl 0.67088 0.34177 0.84254 1.00000
Get direct link