La2Sm3ErSb6
Alexandria ALEXAlex-ID: agm035973751 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_521_spg12
SmEr2Sb3 SmSb LaSb
2024-08-25 00:04:30.386157
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm035973751).
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 agm035973751
data_agm035973751
_cell_length_a 10.06261
_cell_length_b 10.06261
_cell_length_c 9.01353
_cell_angle_alpha 77.11502
_cell_angle_beta 77.11502
_cell_angle_gamma 25.89131
_cell_volume 387.96056
_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 0.16650 0.16650 0.16707 1.00000
La2 La 0.83350 0.83350 0.83293 1.00000
Sm1 Sm 0.50000 0.50000 0.50000 1.00000
Sm2 Sm 0.83330 0.83330 0.33366 1.00000
Sm3 Sm 0.16670 0.16670 0.66634 1.00000
Er1 Er 0.50000 0.50000 0.00000 1.00000
Sb1 Sb 0.33728 0.33728 0.08660 1.00000
Sb2 Sb 0.33374 0.33374 0.57789 1.00000
Sb3 Sb 0.66272 0.66272 0.91340 1.00000
Sb4 Sb 0.00177 0.00177 0.75425 1.00000
Sb5 Sb 0.99823 0.99823 0.24575 1.00000
Sb6 Sb 0.66626 0.66626 0.42211 1.00000
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