Tb2SmC3
Alexandria ALEXAlex-ID: agm005882004 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_1007_spg74
Tb4C5 Sm2C
2023-08-07 08:47:06.934715
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005882004).
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 agm005882004
data_agm005882004
_cell_length_a 5.75530
_cell_length_b 7.04452
_cell_length_c 7.04452
_cell_angle_alpha 65.26532
_cell_angle_beta 65.88979
_cell_angle_gamma 65.88976
_cell_volume 226.84453
_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 0.07589 0.09105 0.75717 1.00000
Tb2 Tb 0.57589 0.25717 0.59105 1.00000
Tb3 Tb 0.42411 0.74283 0.40895 1.00000
Tb4 Tb 0.92411 0.90895 0.24283 1.00000
Sm1 Sm 0.75000 0.71758 0.78242 1.00000
Sm2 Sm 0.25000 0.28242 0.21758 1.00000
C1 C 0.38168 0.00000 1.00000 1.00000
C2 C 0.61832 1.00000 0.00000 1.00000
C3 C 0.11832 0.50000 0.50000 1.00000
C4 C 0.00000 0.00000 0.50000 1.00000
C5 C 0.50000 0.00000 0.50000 1.00000
C6 C 0.88168 0.50000 0.50000 1.00000
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