Zn2In7Pd3
Alexandria ALEXAlex-ID: agm024281249 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C7_704_spg2
In7Pd3 Zn3Pd In
2025-05-17 18:16:39
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024281249).
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 agm024281249
data_agm024281249
_cell_length_a 4.31793
_cell_length_b 6.94210
_cell_length_c 10.26795
_cell_angle_alpha 98.69179
_cell_angle_beta 65.17477
_cell_angle_gamma 107.35809
_cell_volume 266.50473
_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
Zn1 Zn 0.66475 0.22195 0.94166 1.00000
Zn2 Zn 0.33525 0.77805 0.05834 1.00000
In1 In 0.00000 0.00000 0.50000 1.00000
In2 In 0.66122 0.86777 0.27815 1.00000
In3 In 0.04424 0.38558 0.14390 1.00000
In4 In 0.33460 0.45981 0.39414 1.00000
In5 In 0.33878 0.13223 0.72185 1.00000
In6 In 0.66540 0.54019 0.60586 1.00000
In7 In 0.95576 0.61442 0.85610 1.00000
Pd1 Pd 0.00000 0.00000 0.00000 1.00000
Pd2 Pd 0.34542 0.12128 0.21598 1.00000
Pd3 Pd 0.65458 0.87872 0.78402 1.00000
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