Tb2SmAs3
Alexandria ALEXAlex-ID: agm033169942 · Space group: Fddd (#70)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_2914_spg15
Tb3SmAs4 TbSmAs2
2024-12-02 20:14:40
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm033169942).
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 agm033169942
data_agm033169942
_cell_length_a 13.80246
_cell_length_b 13.16495
_cell_length_c 7.20686
_cell_angle_alpha 79.44888
_cell_angle_beta 69.66626
_cell_angle_gamma 30.88486
_cell_volume 612.03370
_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 0.00031 0.00031 0.49969 1.00000
Tb2 Tb 0.41640 0.41640 0.58360 1.00000
Tb3 Tb 0.83360 0.83360 0.66640 1.00000
Tb4 Tb 0.24969 0.24969 0.75031 1.00000
Tb5 Tb 0.75031 0.75031 0.24969 1.00000
Tb6 Tb 0.66640 0.66640 0.83360 1.00000
Tb7 Tb 0.58360 0.58360 0.41640 1.00000
Tb8 Tb 0.49969 0.49969 0.00031 1.00000
Sm1 Sm 0.91670 0.91670 0.08330 1.00000
Sm2 Sm 0.33330 0.33330 0.16670 1.00000
Sm3 Sm 0.16670 0.16670 0.33330 1.00000
Sm4 Sm 0.08330 0.08330 0.91670 1.00000
As1 As 0.66741 0.16722 0.82931 1.00000
As2 As 0.16722 0.66741 0.33606 1.00000
As3 As 0.58259 0.08278 0.42069 1.00000
As4 As 0.08278 0.58259 0.91394 1.00000
As5 As 0.50339 0.99661 0.99661 1.00000
As6 As 0.99661 0.50339 0.50339 1.00000
As7 As 0.91394 0.42069 0.08278 1.00000
As8 As 0.42069 0.91394 0.58259 1.00000
As9 As 0.33606 0.82931 0.16722 1.00000
As10 As 0.82931 0.33606 0.66741 1.00000
As11 As 0.74661 0.25339 0.25339 1.00000
As12 As 0.25339 0.74661 0.74661 1.00000
