Dy12InPd7
Alexandria ALEXAlex-ID: agm013154403 · Space group: I4/mcm (#140)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB7C12_8_spg140
Dy3Pd Dy4InPd DyPd
2024-11-02 19:19:52.534710
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm013154403).
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 agm013154403
data_agm013154403
_cell_length_a 10.95132
_cell_length_b 10.95132
_cell_length_c 10.95132
_cell_angle_alpha 115.33997
_cell_angle_beta 115.33997
_cell_angle_gamma 98.28071
_cell_volume 982.99171
_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
Dy1 Dy 0.56819 0.43558 0.72119 1.00000
Dy2 Dy 0.28562 0.15300 0.72119 1.00000
Dy3 Dy 0.43181 0.56442 0.27881 1.00000
Dy4 Dy 0.06819 0.34700 0.13262 1.00000
Dy5 Dy 0.15300 0.43181 0.86738 1.00000
Dy6 Dy 0.56442 0.28562 0.13262 1.00000
Dy7 Dy 0.78562 0.06442 0.13262 1.00000
Dy8 Dy 0.06442 0.93181 0.27881 1.00000
Dy9 Dy 0.65300 0.78562 0.72119 1.00000
Dy10 Dy 0.71438 0.84700 0.27881 1.00000
Dy11 Dy 0.17460 0.32540 0.50000 1.00000
Dy12 Dy 0.93181 0.65300 0.86738 1.00000
Dy13 Dy 0.84700 0.56819 0.13262 1.00000
Dy14 Dy 0.43558 0.71438 0.86738 1.00000
Dy15 Dy 0.13525 0.63525 0.50000 1.00000
Dy16 Dy 0.63525 0.13525 0.50000 1.00000
Dy17 Dy 0.36475 0.86475 0.50000 1.00000
Dy18 Dy 0.86475 0.36475 0.50000 1.00000
Dy19 Dy 0.32540 0.82540 0.15081 1.00000
Dy20 Dy 0.93558 0.06819 0.72119 1.00000
Dy21 Dy 0.67460 0.17460 0.84919 1.00000
Dy22 Dy 0.82540 0.67460 0.50000 1.00000
Dy23 Dy 0.21438 0.93558 0.86738 1.00000
Dy24 Dy 0.34700 0.21438 0.27881 1.00000
In1 In 0.50000 0.50000 0.00000 1.00000
In2 In 0.00000 0.00000 0.00000 1.00000
Pd1 Pd 0.86843 0.36843 0.84438 1.00000
Pd2 Pd 0.13157 0.63157 0.15562 1.00000
Pd3 Pd 0.47594 0.97594 0.84438 1.00000
Pd4 Pd 0.02406 0.86843 0.50000 1.00000
Pd5 Pd 0.63157 0.47594 0.50000 1.00000
Pd6 Pd 0.97594 0.13157 0.50000 1.00000
Pd7 Pd 0.62556 0.87444 0.50000 1.00000
Pd8 Pd 0.87444 0.37444 0.24888 1.00000
Pd9 Pd 0.12556 0.62556 0.75112 1.00000
Pd10 Pd 0.37444 0.12556 0.50000 1.00000
Pd11 Pd 0.25000 0.25000 0.00000 1.00000
Pd12 Pd 0.75000 0.75000 0.00000 1.00000
Pd13 Pd 0.52406 0.02406 0.15562 1.00000
Pd14 Pd 0.36843 0.52406 0.50000 1.00000
