Mg8TlCd3
Alexandria ALEXAlex-ID: agm005970596 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C8_9_spg139
Mg2Cd Mg2Tl
2023-09-08 09:53:39.658355
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005970596).
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 agm005970596
data_agm005970596
_cell_length_a 8.25395
_cell_length_b 8.27233
_cell_length_c 8.23809
_cell_angle_alpha 48.68195
_cell_angle_beta 108.98614
_cell_angle_gamma 131.36743
_cell_volume 310.84391
_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 0.12654 1.00000 0.38013 1.00000
Mg2 Mg 0.37945 0.50633 0.62111 1.00000
Mg3 Mg 0.87312 0.49367 0.12744 1.00000
Mg4 Mg 0.62048 0.00000 0.87412 1.00000
Mg5 Mg 0.87358 0.00000 0.62002 1.00000
Mg6 Mg 0.62049 0.49365 0.37881 1.00000
Mg7 Mg 0.12684 0.50635 0.87246 1.00000
Mg8 Mg 0.37964 0.00000 0.12604 1.00000
Tl1 Tl 0.00001 1.00000 0.00003 1.00000
Cd1 Cd 0.74998 0.50003 0.74995 1.00000
Cd2 Cd 0.24995 0.49997 0.24997 1.00000
Cd3 Cd 0.50011 0.00000 0.50007 1.00000
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