Sm7InAg4
Alexandria ALEXAlex-ID: agm003666843 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C7_86_spg12
Sm3In SmAg
2022-04-08 14:39:23.537534
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003666843).
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 agm003666843
data_agm003666843
_cell_length_a 5.78066
_cell_length_b 8.87291
_cell_length_c 7.86766
_cell_angle_alpha 67.64920
_cell_angle_beta 68.44659
_cell_angle_gamma 70.98913
_cell_volume 338.91138
_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 0.81857 0.88198 0.48087 1.00000
Sm2 Sm 0.18143 0.11802 0.51913 1.00000
Sm3 Sm 0.07649 0.59174 0.25529 1.00000
Sm4 Sm 0.92351 0.40826 0.74471 1.00000
Sm5 Sm 0.27261 0.69019 0.76459 1.00000
Sm6 Sm 0.50000 0.00000 0.00000 1.00000
Sm7 Sm 0.72739 0.30981 0.23541 1.00000
In1 In 0.00000 0.00000 0.00000 1.00000
Ag1 Ag 0.52488 0.31512 0.63512 1.00000
Ag2 Ag 0.47512 0.68488 0.36488 1.00000
Ag3 Ag 0.68834 0.65788 0.96544 1.00000
Ag4 Ag 0.31166 0.34212 0.03456 1.00000
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