MgU2As3
Alexandria ALEXAlex-ID: agm017474135 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_5009_spg14
UAs Mg3As2 U3As4
2025-04-14 04:02:53
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017474135).
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 agm017474135
data_agm017474135
_cell_length_a 5.73687
_cell_length_b 8.06858
_cell_length_c 12.18880
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 564.20052
_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 0.75000 0.37448 0.58294 1.00000
Mg2 Mg 0.75000 0.87448 0.91706 1.00000
Mg3 Mg 0.25000 0.12552 0.08294 1.00000
Mg4 Mg 0.25000 0.62552 0.41706 1.00000
U1 U 0.75000 0.37157 0.24992 1.00000
U2 U 0.75000 0.87157 0.25008 1.00000
U3 U 0.75000 0.37057 0.91722 1.00000
U4 U 0.75000 0.87057 0.58278 1.00000
U5 U 0.25000 0.12943 0.41722 1.00000
U6 U 0.25000 0.62943 0.08278 1.00000
U7 U 0.25000 0.12843 0.74992 1.00000
U8 U 0.25000 0.62843 0.75008 1.00000
As1 As 0.75000 0.11985 0.08220 1.00000
As2 As 0.75000 0.61985 0.41780 1.00000
As3 As 0.75000 0.12460 0.41802 1.00000
As4 As 0.75000 0.62460 0.08198 1.00000
As5 As 0.75000 0.12245 0.74974 1.00000
As6 As 0.75000 0.62245 0.75026 1.00000
As7 As 0.25000 0.37755 0.24974 1.00000
As8 As 0.25000 0.87755 0.25026 1.00000
As9 As 0.25000 0.37540 0.91802 1.00000
As10 As 0.25000 0.87540 0.58198 1.00000
As11 As 0.25000 0.38015 0.58220 1.00000
As12 As 0.25000 0.88015 0.91780 1.00000
