Sr2Mg3Cd5
Alexandria ALEXAlex-ID: agm005608700 · Space group: Ibam (#72)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C5_62_spg72
Sr(MgCd2)2 SrCd2 SrMg9Cd2
2023-06-24 20:54:28.525916
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005608700).
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 agm005608700
data_agm005608700
_cell_length_a 6.62981
_cell_length_b 9.85199
_cell_length_c 9.85199
_cell_angle_alpha 72.52471
_cell_angle_beta 70.33803
_cell_angle_gamma 70.33803
_cell_volume 557.80463
_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 0.13237 0.59889 0.13637 1.00000
Sr2 Sr 0.63237 0.13637 0.59889 1.00000
Sr3 Sr 0.86763 0.40111 0.86363 1.00000
Sr4 Sr 0.36763 0.86363 0.40111 1.00000
Mg1 Mg 0.35409 0.55424 0.73758 1.00000
Mg2 Mg 0.85409 0.73758 0.55424 1.00000
Mg3 Mg 0.64591 0.44576 0.26242 1.00000
Mg4 Mg 0.14591 0.26242 0.44576 1.00000
Mg5 Mg 0.25000 0.00000 0.00000 1.00000
Mg6 Mg 0.75000 0.00000 0.00000 1.00000
Cd1 Cd 0.39591 0.27443 0.93376 1.00000
Cd2 Cd 0.89591 0.93376 0.27443 1.00000
Cd3 Cd 0.60409 0.72557 0.06624 1.00000
Cd4 Cd 0.10409 0.06624 0.72557 1.00000
Cd5 Cd 0.45736 0.79264 0.79264 1.00000
Cd6 Cd 0.54264 0.20736 0.20736 1.00000
Cd7 Cd 0.75000 0.50000 0.50000 1.00000
Cd8 Cd 0.25000 0.50000 0.50000 1.00000
Cd9 Cd 0.04264 0.20736 0.20736 1.00000
Cd10 Cd 0.95736 0.79264 0.79264 1.00000
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