ThZn5Pd7
Alexandria ALEXAlex-ID: agm003679901 · Space group: Imm2 (#44)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C7_7_spg44
ThZn3Pd2 ZnPd ThPd3
2022-04-10 08:43:03.453310
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003679901).
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 agm003679901
data_agm003679901
_cell_length_a 5.30100
_cell_length_b 6.81649
_cell_length_c 6.81649
_cell_angle_alpha 81.42050
_cell_angle_beta 67.11786
_cell_angle_gamma 67.11786
_cell_volume 209.06774
_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
Th1 Th 0.98985 0.01015 0.01015 1.00000
Zn1 Zn 0.49732 0.99947 0.49896 1.00000
Zn2 Zn 0.00425 0.99947 0.49896 1.00000
Zn3 Zn 0.49732 0.49896 0.99947 1.00000
Zn4 Zn 0.00425 0.49896 0.99947 1.00000
Zn5 Zn 0.73270 0.76730 0.76730 1.00000
Pd1 Pd 0.65591 0.34409 0.34409 1.00000
Pd2 Pd 0.33665 0.66335 0.66335 1.00000
Pd3 Pd 0.99756 0.34204 0.66284 1.00000
Pd4 Pd 0.99756 0.66284 0.34204 1.00000
Pd5 Pd 0.27352 0.22648 0.22648 1.00000
Pd6 Pd 0.50655 0.78618 0.20072 1.00000
Pd7 Pd 0.50655 0.20072 0.78618 1.00000
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