Mg3Zn3As4
Alexandria ALEXAlex-ID: agm005507364 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B3C4_20_spg8
Mg(ZnAs)2 Mg3As2
2023-03-20 07:46:03.160962
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005507364).
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 agm005507364
data_agm005507364
_cell_length_a 7.56077
_cell_length_b 7.56077
_cell_length_c 7.41464
_cell_angle_alpha 80.64434
_cell_angle_beta 80.64434
_cell_angle_gamma 32.68968
_cell_volume 225.61317
_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 0.67898 0.67898 0.96005 1.00000
Mg2 Mg 0.18123 0.18123 0.48726 1.00000
Mg3 Mg 0.32065 0.32065 0.09457 1.00000
Zn1 Zn 0.83496 0.83496 0.58923 1.00000
Zn2 Zn 0.02946 0.02946 0.86085 1.00000
Zn3 Zn 0.53393 0.53393 0.35104 1.00000
As1 As 0.36261 0.36261 0.41974 1.00000
As2 As 0.85974 0.85974 0.90623 1.00000
As3 As 0.59838 0.59838 0.66522 1.00000
As4 As 0.10895 0.10895 0.16582 1.00000
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