Mg2Cd2Pd5
Alexandria ALEXAlex-ID: agm003313655 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_208_spg74
Mg3Pd5 MgCd3Pd4 CdPd
2022-01-20 05:00:43.283313
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003313655).
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 agm003313655
data_agm003313655
_cell_length_a 6.84810
_cell_length_b 5.77789
_cell_length_c 9.34598
_cell_angle_alpha 108.00567
_cell_angle_beta 111.49168
_cell_angle_gamma 90.00000
_cell_volume 324.54367
_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 0.13889 0.61286 0.15250 1.00000
Mg2 Mg 0.86111 0.46036 0.84750 1.00000
Mg3 Mg 0.51361 0.11286 0.15249 1.00000
Mg4 Mg 0.48639 0.96036 0.84750 1.00000
Cd1 Cd 0.00000 0.03686 1.00000 1.00000
Cd2 Cd 0.50000 0.53686 1.00000 1.00000
Cd3 Cd 0.19602 0.28834 0.50000 1.00000
Cd4 Cd 0.80398 0.78834 0.50000 1.00000
Pd1 Pd 0.13925 0.67678 0.77921 1.00000
Pd2 Pd 0.86075 0.89757 0.22079 1.00000
Pd3 Pd 0.13996 0.17678 0.77921 1.00000
Pd4 Pd 0.86005 0.39757 0.22079 1.00000
Pd5 Pd 0.41849 0.95747 0.33895 1.00000
Pd6 Pd 0.58151 0.61852 0.66105 1.00000
Pd7 Pd 0.42046 0.45747 0.33895 1.00000
Pd8 Pd 0.57954 0.11852 0.66105 1.00000
Pd9 Pd 0.19902 0.78723 0.50000 1.00000
Pd10 Pd 0.80098 0.28723 0.50000 1.00000
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