Mg4Cd6In
Alexandria ALEXAlex-ID: agm006100788 · Space group: I-42m (#121)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C6_191_spg121
MgCd3 MgCd MgIn6
2023-10-06 11:26:37
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006100788).
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 agm006100788
data_agm006100788
_cell_length_a 8.85371
_cell_length_b 8.85371
_cell_length_c 8.85371
_cell_angle_alpha 55.48137
_cell_angle_beta 141.56714
_cell_angle_gamma 141.56714
_cell_volume 266.17363
_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 0.00000 0.62284 0.01846 1.00000
Mg2 Mg 0.39562 0.37716 0.37716 1.00000
Mg3 Mg 1.00000 0.01846 0.62284 1.00000
Mg4 Mg 0.60438 0.98154 0.98154 1.00000
Cd1 Cd 0.00000 0.82319 0.44613 1.00000
Cd2 Cd 1.00000 0.44613 0.82319 1.00000
Cd3 Cd 0.37706 0.55387 0.55387 1.00000
Cd4 Cd 0.50000 0.50000 0.00000 1.00000
Cd5 Cd 0.62294 0.17681 0.17681 1.00000
Cd6 Cd 0.50000 0.00000 0.50000 1.00000
In1 In 0.00000 0.00000 0.00000 1.00000
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