La2SmErIn4
Alexandria ALEXAlex-ID: agm017885532 · Space group: P4mm (#99)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_471_spg47
LaSmIn2 LaErIn2
2024-12-28 02:44:37
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017885532).
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 agm017885532
data_agm017885532
_cell_length_a 7.35935
_cell_length_b 7.35935
_cell_length_c 8.52232
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 461.56926
_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 0.00000 0.00000 0.93439 1.00000
La2 La 0.00000 0.00000 0.40176 1.00000
La3 La 0.50000 0.00000 0.92044 1.00000
La4 La 0.00000 0.50000 0.92044 1.00000
Sm1 Sm 0.00000 0.50000 0.41654 1.00000
Sm2 Sm 0.50000 0.00000 0.41654 1.00000
Er1 Er 0.50000 0.50000 0.44013 1.00000
Er2 Er 0.50000 0.50000 0.90006 1.00000
In1 In 0.74975 0.25025 0.66422 1.00000
In2 In 0.25025 0.74975 0.66422 1.00000
In3 In 0.72304 0.27696 0.17328 1.00000
In4 In 0.27696 0.72304 0.17328 1.00000
In5 In 0.27696 0.27696 0.17328 1.00000
In6 In 0.25025 0.25025 0.66422 1.00000
In7 In 0.72304 0.72304 0.17328 1.00000
In8 In 0.74975 0.74975 0.66422 1.00000
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