Mg2Zn4Se
Alexandria ALEXAlex-ID: agm005486177 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_1216_spg166
MgZn2 Zn MgSe
2023-03-17 23:34:29.947320
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005486177).
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 agm005486177
data_agm005486177
_cell_length_a 9.76055
_cell_length_b 9.76055
_cell_length_c 9.76055
_cell_angle_alpha 24.07241
_cell_angle_beta 24.07241
_cell_angle_gamma 24.07241
_cell_volume 135.94997
_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
Mg1 Mg 0.27879 0.27879 0.27879 1.00000
Mg2 Mg 0.72121 0.72121 0.72121 1.00000
Zn1 Zn 0.15266 0.15266 0.15266 1.00000
Zn2 Zn 0.84734 0.84734 0.84734 1.00000
Zn3 Zn 0.45129 0.45129 0.45129 1.00000
Zn4 Zn 0.54871 0.54871 0.54871 1.00000
Se1 Se 0.00000 0.00000 0.00000 1.00000
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