MgAs2
Alexandria ALEXAlex-ID: agm005461045 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2_2532_spg12
MgAs4 Mg3As2
2023-03-21 11:47:51.930095
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005461045).
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 agm005461045
data_agm005461045
_cell_length_a 4.69055
_cell_length_b 4.69055
_cell_length_c 9.18478
_cell_angle_alpha 90.50591
_cell_angle_beta 90.50591
_cell_angle_gamma 44.79367
_cell_volume 142.36784
_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 0.19668 0.19668 0.72695 1.00000
Mg2 Mg 0.80332 0.80332 0.27305 1.00000
As1 As 0.51360 0.51360 0.36785 1.00000
As2 As 0.83783 0.83783 0.95361 1.00000
As3 As 0.16217 0.16217 0.04639 1.00000
As4 As 0.48640 0.48640 0.63215 1.00000
