Na2MgSnSe4
Alexandria ALEXAlex-ID: agm050769376 · Space group: Pc (#7)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_48_spg20
Na2SnSe3 MgSe
2025-02-05 15:16:50
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm050769376).
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 agm050769376
data_agm050769376
_cell_length_a 7.08599
_cell_length_b 7.41788
_cell_length_c 11.83235
_cell_angle_alpha 90.00000
_cell_angle_beta 126.69952
_cell_angle_gamma 90.00000
_cell_volume 498.66248
_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 0.28713 0.82473 0.68613 1.00000
Na2 Na 0.02453 0.33676 0.42430 1.00000
Na3 Na 0.28713 0.17527 0.18613 1.00000
Na4 Na 0.02453 0.66324 0.92430 1.00000
Mg1 Mg 0.78926 0.81468 0.17705 1.00000
Mg2 Mg 0.78926 0.18532 0.67705 1.00000
Sn1 Sn 0.54604 0.68227 0.43057 1.00000
Sn2 Sn 0.54604 0.31773 0.93057 1.00000
Se1 Se 0.66427 0.15211 0.15478 1.00000
Se2 Se 0.89094 0.29195 0.91502 1.00000
Se3 Se 0.17896 0.19453 0.70081 1.00000
Se4 Se 0.46181 0.64941 0.94854 1.00000
Se5 Se 0.46181 0.35059 0.44854 1.00000
Se6 Se 0.89094 0.70805 0.41502 1.00000
Se7 Se 0.17896 0.80547 0.20081 1.00000
Se8 Se 0.66427 0.84789 0.65478 1.00000
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