DyIn2Pd
Alexandria ALEXAlex-ID: agm003247349 · Space group: I4mm (#107)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_200_spg107
DyIn2Pd
2021-12-19 23:41:08.650268
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003247349).
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 agm003247349
data_agm003247349
_cell_length_a 10.82360
_cell_length_b 10.82360
_cell_length_c 10.82360
_cell_angle_alpha 100.44507
_cell_angle_beta 100.44507
_cell_angle_gamma 129.59928
_cell_volume 884.02517
_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 0.67001 0.39012 0.27989 1.00000
Dy2 Dy 0.11023 0.39012 0.72011 1.00000
Dy3 Dy 0.39012 0.67001 0.27989 1.00000
Dy4 Dy 0.39012 0.11023 0.72011 1.00000
Dy5 Dy 0.67427 0.67427 0.59604 1.00000
Dy6 Dy 0.07823 0.07823 0.40396 1.00000
Dy7 Dy 0.07823 0.67427 0.00000 1.00000
Dy8 Dy 0.67427 0.07823 0.00000 1.00000
Dy9 Dy 0.46240 0.46240 0.00000 1.00000
Dy10 Dy 0.99070 0.99070 0.00000 1.00000
In1 In 0.26905 0.47681 0.49221 1.00000
In2 In 0.98460 0.77683 0.50779 1.00000
In3 In 0.77683 0.26905 0.79223 1.00000
In4 In 0.26905 0.77683 0.79223 1.00000
In5 In 0.47681 0.98460 0.20777 1.00000
In6 In 0.98460 0.47681 0.20777 1.00000
In7 In 0.77683 0.98460 0.50779 1.00000
In8 In 0.47681 0.26905 0.49221 1.00000
In9 In 0.24811 0.86521 0.38291 1.00000
In10 In 0.48230 0.86521 0.61709 1.00000
In11 In 0.86521 0.24811 0.38291 1.00000
In12 In 0.86521 0.48230 0.61709 1.00000
In13 In 0.35521 0.35521 0.26118 1.00000
In14 In 0.09403 0.09403 0.73882 1.00000
In15 In 0.09403 0.35521 0.00000 1.00000
In16 In 0.35521 0.09403 0.00000 1.00000
In17 In 0.88221 0.71905 0.16316 1.00000
In18 In 0.55589 0.71905 0.83684 1.00000
In19 In 0.71905 0.88221 0.16316 1.00000
In20 In 0.71905 0.55589 0.83684 1.00000
Pd1 Pd 0.11563 0.61563 0.50000 1.00000
Pd2 Pd 0.61563 0.11563 0.50000 1.00000
Pd3 Pd 0.37217 0.37217 0.67883 1.00000
Pd4 Pd 0.69334 0.69334 0.32117 1.00000
Pd5 Pd 0.69334 0.37217 0.00000 1.00000
Pd6 Pd 0.37217 0.69334 0.00000 1.00000
Pd7 Pd 0.23908 0.02554 0.21353 1.00000
Pd8 Pd 0.81201 0.02554 0.78647 1.00000
Pd9 Pd 0.02554 0.23908 0.21353 1.00000
Pd10 Pd 0.02554 0.81201 0.78647 1.00000
