Dy6TmPd2
Alexandria ALEXAlex-ID: agm005646178 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_1813_spg12
DyTmPd Dy3Pd Dy
2023-07-09 03:42:56.557131
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005646178).
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 agm005646178
data_agm005646178
_cell_length_a 3.67811
_cell_length_b 8.22066
_cell_length_c 8.62669
_cell_angle_alpha 79.10359
_cell_angle_beta 77.69110
_cell_angle_gamma 77.07288
_cell_volume 245.63466
_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 0.03249 0.12522 0.80979 1.00000
Dy2 Dy 0.28696 0.31646 0.10962 1.00000
Dy3 Dy 0.71304 0.68354 0.89038 1.00000
Dy4 Dy 0.30673 0.83184 0.55469 1.00000
Dy5 Dy 0.69327 0.16816 0.44531 1.00000
Dy6 Dy 0.96751 0.87478 0.19021 1.00000
Tm1 Tm 0.00000 0.50000 0.50000 1.00000
Pd1 Pd 0.40710 0.42354 0.76225 1.00000
Pd2 Pd 0.59290 0.57646 0.23775 1.00000
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