Ac5(MgCd6)2
Alexandria ALEXAlex-ID: agm005684368 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C12_397_spg12
Ac3Mg3Cd8 AcCd2 Ac3Mg2Cd9
2023-06-25 23:45:17.226515
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005684368).
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 agm005684368
data_agm005684368
_cell_length_a 7.52175
_cell_length_b 7.78899
_cell_length_c 10.08741
_cell_angle_alpha 67.28951
_cell_angle_beta 85.60889
_cell_angle_gamma 90.00000
_cell_volume 543.28741
_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
Ac1 Ac 0.58429 0.75818 0.48364 1.00000
Ac2 Ac 0.05451 0.70202 0.59596 1.00000
Ac3 Ac 0.50000 0.00000 0.00000 1.00000
Ac4 Ac 0.94549 0.29798 0.40404 1.00000
Ac5 Ac 0.41571 0.24182 0.51636 1.00000
Mg1 Mg 0.00000 0.71441 1.00000 1.00000
Mg2 Mg 1.00000 0.28559 0.00000 1.00000
Cd1 Cd 0.08057 0.10444 0.79111 1.00000
Cd2 Cd 0.74993 0.33911 0.71419 1.00000
Cd3 Cd 0.74993 0.94670 0.71419 1.00000
Cd4 Cd 0.34998 0.41291 0.79212 1.00000
Cd5 Cd 0.34998 0.79497 0.79212 1.00000
Cd6 Cd 0.68753 0.54473 0.91054 1.00000
Cd7 Cd 0.31247 0.45527 0.08946 1.00000
Cd8 Cd 0.65002 0.58709 0.20788 1.00000
Cd9 Cd 0.65002 0.20503 0.20788 1.00000
Cd10 Cd 0.25007 0.66089 0.28581 1.00000
Cd11 Cd 0.25007 0.05330 0.28581 1.00000
Cd12 Cd 0.91943 0.89556 0.20889 1.00000
Get direct link