NaGaSn6
Alexandria ALEXAlex-ID: agm005809848 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC6_258_spg12
NaGaSn Sn
2023-07-25 00:11:03.028425
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005809848).
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 agm005809848
data_agm005809848
_cell_length_a 6.60693
_cell_length_b 6.00628
_cell_length_c 6.00628
_cell_angle_alpha 112.77829
_cell_angle_beta 98.78294
_cell_angle_gamma 98.78268
_cell_volume 211.23312
_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
Na1 Na 0.00000 0.50000 0.50000 1.00000
Ga1 Ga 0.00000 0.00000 0.00000 1.00000
Sn1 Sn 0.45981 0.25984 0.25984 1.00000
Sn2 Sn 0.75334 0.35418 0.90470 1.00000
Sn3 Sn 0.75335 0.90470 0.35418 1.00000
Sn4 Sn 0.24666 0.64582 0.09530 1.00000
Sn5 Sn 0.54019 0.74016 0.74016 1.00000
Sn6 Sn 0.24665 0.09530 0.64582 1.00000
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