Tm(BC3)4
Alexandria ALEXAlex-ID: agm071336741 · Space group: I4_1/amd (#141)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C12_286_spg141
TmB4 C
2024-08-05 11:30:09.248772
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm071336741).
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 agm071336741
data_agm071336741
_cell_length_a 9.95752
_cell_length_b 9.95752
_cell_length_c 9.95752
_cell_angle_alpha 149.57935
_cell_angle_beta 149.57935
_cell_angle_gamma 43.55923
_cell_volume 252.43842
_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 0.00000 0.00000 0.00000 1.00000
Tm2 Tm 0.75000 0.25000 0.50000 1.00000
B1 B 0.37500 0.82810 0.95310 1.00000
B2 B 0.37500 0.42190 0.54690 1.00000
B3 B 0.87500 0.42190 0.04690 1.00000
B4 B 0.87500 0.82810 0.45310 1.00000
B5 B 0.17190 0.62500 0.04690 1.00000
B6 B 0.57810 0.62500 0.45310 1.00000
B7 B 0.57810 0.12500 0.95310 1.00000
B8 B 0.17190 0.12500 0.54690 1.00000
C1 C 0.50373 0.71652 0.21279 1.00000
C2 C 0.24627 0.53348 0.28721 1.00000
C3 C 0.50373 0.29093 0.78721 1.00000
C4 C 0.24627 0.95907 0.71279 1.00000
C5 C 0.04093 0.75373 0.28721 1.00000
C6 C 0.70907 0.49627 0.21279 1.00000
C7 C 0.46652 0.75373 0.71279 1.00000
C8 C 0.28348 0.49627 0.78721 1.00000
C9 C 0.43707 0.79971 0.36265 1.00000
C10 C 0.31293 0.45029 0.13735 1.00000
C11 C 0.43707 0.07442 0.63735 1.00000
C12 C 0.31293 0.17558 0.86265 1.00000
C13 C 0.82442 0.68707 0.13735 1.00000
C14 C 0.92558 0.56293 0.36265 1.00000
C15 C 0.54971 0.68707 0.86265 1.00000
C16 C 0.20029 0.56293 0.63735 1.00000
C17 C 0.58060 0.92626 0.34566 1.00000
C18 C 0.16940 0.32374 0.15434 1.00000
C19 C 0.58060 0.23494 0.65434 1.00000
C20 C 0.16940 0.01506 0.84566 1.00000
C21 C 0.98494 0.83060 0.15434 1.00000
C22 C 0.76506 0.41940 0.34566 1.00000
C23 C 0.67626 0.83060 0.84566 1.00000
C24 C 0.07374 0.41940 0.65434 1.00000
