Sm2Mg2In
Alexandria ALEXAlex-ID: agm003403628 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2_1019_spg12
Sm2MgIn SmMgIn SmMg3
2022-02-11 03:25:57.735699
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003403628).
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 agm003403628
data_agm003403628
_cell_length_a 5.17509
_cell_length_b 6.25774
_cell_length_c 9.95943
_cell_angle_alpha 98.33821
_cell_angle_beta 74.94131
_cell_angle_gamma 65.57541
_cell_volume 271.64068
_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
Sm1 Sm 0.70118 0.24958 0.34806 1.00000
Sm2 Sm 0.89171 0.27741 0.93916 1.00000
Sm3 Sm 0.29882 0.75042 0.65194 1.00000
Sm4 Sm 0.10829 0.72259 0.06084 1.00000
Mg1 Mg 0.05730 0.30550 0.57991 1.00000
Mg2 Mg 0.65932 0.82287 0.85850 1.00000
Mg3 Mg 0.94270 0.69450 0.42009 1.00000
Mg4 Mg 0.34068 0.17713 0.14150 1.00000
In1 In 0.54868 0.19760 0.70504 1.00000
In2 In 0.45132 0.80240 0.29496 1.00000
Get direct link