Sr3Li2(MgAs2)2
Alexandria ALEXAlex-ID: agm024709069 · Space group: P-3m1 (#164)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C3D4_45_spg164
Sr(MgAs)2 SrLiAs
2025-01-26 05:07:32
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024709069).
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 agm024709069
data_agm024709069
_cell_length_a 4.47715
_cell_length_b 4.47715
_cell_length_c 15.67012
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 120.00000
_cell_volume 272.02305
_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
Sr1 Sr 0.00000 0.00000 0.73581 1.00000
Sr2 Sr 0.00000 0.00000 0.00000 1.00000
Sr3 Sr 0.00000 0.00000 0.26419 1.00000
Li1 Li 0.66667 0.33333 0.86875 1.00000
Li2 Li 0.33333 0.66667 0.13125 1.00000
Mg1 Mg 0.66667 0.33333 0.43885 1.00000
Mg2 Mg 0.33333 0.66667 0.56115 1.00000
As1 As 0.66667 0.33333 0.13159 1.00000
As2 As 0.33333 0.66667 0.86841 1.00000
As3 As 0.66667 0.33333 0.61327 1.00000
As4 As 0.33333 0.66667 0.38673 1.00000
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