Sr3Mg2Cd9
Alexandria ALEXAlex-ID: agm005602091 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C9_126_spg71
Sr3Mg2Cd9
2023-06-14 07:29:21.320175
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005602091).
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 agm005602091
data_agm005602091
_cell_length_a 4.94917
_cell_length_b 9.36035
_cell_length_c 9.36035
_cell_angle_alpha 65.83840
_cell_angle_beta 74.67056
_cell_angle_gamma 74.67056
_cell_volume 375.50632
_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 0.00000 0.00000 0.00000 1.00000
Sr2 Sr 0.70844 0.29156 0.29156 1.00000
Sr3 Sr 0.29156 0.70844 0.70844 1.00000
Mg1 Mg 0.50000 0.31790 0.68210 1.00000
Mg2 Mg 0.50000 0.68210 0.31790 1.00000
Cd1 Cd 0.00000 0.50000 0.50000 1.00000
Cd2 Cd 0.66149 0.98170 0.69532 1.00000
Cd3 Cd 0.33851 0.01830 0.30468 1.00000
Cd4 Cd 0.66149 0.69532 0.98170 1.00000
Cd5 Cd 0.33851 0.30468 0.01830 1.00000
Cd6 Cd 0.86602 0.84581 0.42216 1.00000
Cd7 Cd 0.13398 0.15419 0.57784 1.00000
Cd8 Cd 0.86602 0.42216 0.84581 1.00000
Cd9 Cd 0.13398 0.57784 0.15419 1.00000
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