HoTh(MgPd2)2
Alexandria ALEXAlex-ID: agm004808166 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_337_spg166
Ho3ThPd4 Th3Pd5 Th2MgPd2 MgPd
2022-07-17 02:20:21.840598
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004808166).
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 agm004808166
data_agm004808166
_cell_length_a 4.61343
_cell_length_b 4.61343
_cell_length_c 9.19575
_cell_angle_alpha 75.47244
_cell_angle_beta 75.47244
_cell_angle_gamma 60.00000
_cell_volume 162.23218
_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
Ho1 Ho 0.50000 0.50000 0.50000 1.00000
Th1 Th 0.00000 0.00000 0.00000 1.00000
Mg1 Mg 0.75620 0.75620 0.73141 1.00000
Mg2 Mg 0.24380 0.24380 0.26859 1.00000
Pd1 Pd 0.38963 0.38963 0.83110 1.00000
Pd2 Pd 0.88592 0.88592 0.34224 1.00000
Pd3 Pd 0.11408 0.11408 0.65776 1.00000
Pd4 Pd 0.61037 0.61037 0.16890 1.00000
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