Sm2MgGa6
Alexandria ALEXAlex-ID: agm003503166 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_686_spg71
Mg2Ga SmGa3 SmGa2
2022-02-28 14:15:25.589883
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003503166).
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 agm003503166
data_agm003503166
_cell_length_a 4.40188
_cell_length_b 6.75612
_cell_length_c 7.91172
_cell_angle_alpha 115.27539
_cell_angle_beta 106.15203
_cell_angle_gamma 90.00000
_cell_volume 202.44764
_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 0.87823 0.87823 0.75646 1.00000
Sm2 Sm 0.12177 0.12177 0.24354 1.00000
Mg1 Mg 0.00000 0.50000 0.00000 1.00000
Ga1 Ga 0.68802 0.88382 0.37603 1.00000
Ga2 Ga 0.31198 0.11618 0.62397 1.00000
Ga3 Ga 0.31198 0.50779 0.62397 1.00000
Ga4 Ga 0.50000 0.21310 1.00000 1.00000
Ga5 Ga 0.50000 0.78690 0.00000 1.00000
Ga6 Ga 0.68802 0.49221 0.37603 1.00000
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