La2Tb3Sm8
Alexandria ALEXAlex-ID: agm005607685 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C8_195_spg12
La3Sm5 Tb2Sm Sm
2023-06-15 23:18:18.483809
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005607685).
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 agm005607685
data_agm005607685
_cell_length_a 6.99318
_cell_length_b 9.68102
_cell_length_c 9.68102
_cell_angle_alpha 57.29587
_cell_angle_beta 61.10808
_cell_angle_gamma 61.10808
_cell_volume 460.40282
_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
La1 La 0.46629 0.22233 0.22233 1.00000
La2 La 0.53371 0.77767 0.77767 1.00000
Tb1 Tb 0.50000 0.00000 0.00000 1.00000
Tb2 Tb 1.00000 0.17237 0.82763 1.00000
Tb3 Tb 0.00000 0.82763 0.17237 1.00000
Sm1 Sm 0.06726 0.57927 0.57927 1.00000
Sm2 Sm 0.93274 0.42073 0.42073 1.00000
Sm3 Sm 0.00298 0.18850 0.18850 1.00000
Sm4 Sm 0.99702 0.81150 0.81150 1.00000
Sm5 Sm 0.56874 0.56389 0.19563 1.00000
Sm6 Sm 0.56874 0.19563 0.56389 1.00000
Sm7 Sm 0.43126 0.80437 0.43611 1.00000
Sm8 Sm 0.43126 0.43611 0.80437 1.00000
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