Mg2Sc3Cd4
Alexandria ALEXAlex-ID: agm005603003 · Space group: P-3m1 (#164)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_138_spg12
MgScCd MgScCd2 ScCd
2023-06-30 20:24:20.757392
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005603003).
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 agm005603003
data_agm005603003
_cell_length_a 4.95245
_cell_length_b 4.95180
_cell_length_c 9.22365
_cell_angle_alpha 90.02172
_cell_angle_beta 90.00273
_cell_angle_gamma 59.99253
_cell_volume 195.87727
_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 0.33337 0.33327 0.76863 1.00000
Mg2 Mg 0.66663 0.66673 0.23137 1.00000
Sc1 Sc 0.33333 0.33334 0.41944 1.00000
Sc2 Sc 0.00000 0.00000 0.00000 1.00000
Sc3 Sc 0.66667 0.66666 0.58056 1.00000
Cd1 Cd 0.66673 0.66654 0.90520 1.00000
Cd2 Cd 0.00003 0.99995 0.33916 1.00000
Cd3 Cd 0.99997 0.00005 0.66084 1.00000
Cd4 Cd 0.33327 0.33346 0.09480 1.00000
Get direct link