Sm3GeAs2
Alexandria ALEXAlex-ID: agm016887459 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_1839_spg74
SmGe SmAs
2025-04-14 01:20:48
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm016887459).
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
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# CIF generated by HEAS from Alexandria entry agm016887459
data_agm016887459
_cell_length_a 7.32133
_cell_length_b 7.32133
_cell_length_c 7.26536
_cell_angle_alpha 80.31355
_cell_angle_beta 99.68645
_cell_angle_gamma 60.24879
_cell_volume 318.53757
_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 0.67033 0.15899 0.99820 1.00000
Sm2 Sm 0.84101 0.32967 0.49820 1.00000
Sm3 Sm 0.00000 0.50000 0.00000 1.00000
Sm4 Sm 0.32967 0.84101 0.00180 1.00000
Sm5 Sm 0.50000 0.00000 0.50000 1.00000
Sm6 Sm 0.15899 0.67033 0.50180 1.00000
Ge1 Ge 0.58339 0.58339 0.75000 1.00000
Ge2 Ge 0.41661 0.41661 0.25000 1.00000
As1 As 0.91667 0.91667 0.75000 1.00000
As2 As 0.24979 0.24979 0.75000 1.00000
As3 As 0.08333 0.08333 0.25000 1.00000
As4 As 0.75021 0.75021 0.25000 1.00000
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