Mg3InPd
Alexandria ALEXAlex-ID: agm005802486 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_1229_spg12
Mg6In2Pd Mg3Pd Mg2InPd
2023-07-04 15:42:10.551289
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005802486).
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
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# CIF generated by HEAS from Alexandria entry agm005802486
data_agm005802486
_cell_length_a 4.58483
_cell_length_b 5.62480
_cell_length_c 8.93786
_cell_angle_alpha 92.35257
_cell_angle_beta 90.00000
_cell_angle_gamma 114.05132
_cell_volume 210.27221
_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 0.09154 0.18309 0.86231 1.00000
Mg2 Mg 0.90846 0.81691 0.13769 1.00000
Mg3 Mg 0.38639 0.77278 0.86306 1.00000
Mg4 Mg 0.61361 0.22722 0.13694 1.00000
Mg5 Mg 0.12805 0.25611 0.39711 1.00000
Mg6 Mg 0.87195 0.74389 0.60289 1.00000
In1 In 0.58924 0.17847 0.63135 1.00000
In2 In 0.41076 0.82153 0.36865 1.00000
Pd1 Pd 0.75424 0.50847 0.88453 1.00000
Pd2 Pd 0.24576 0.49153 0.11547 1.00000
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