Dy2ErTc
Alexandria ALEXAlex-ID: agm068092008 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_547_spg62
DyEr2Tc Dy3Tc
2025-01-07 05:05:54
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm068092008).
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 agm068092008
data_agm068092008
_cell_length_a 6.22515
_cell_length_b 9.16058
_cell_length_c 14.77607
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 842.61955
_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 0.56120 0.06482 0.78755 1.00000
Dy2 Dy 0.06120 0.93518 0.71245 1.00000
Dy3 Dy 0.43880 0.56482 0.21245 1.00000
Dy4 Dy 0.93880 0.43518 0.28755 1.00000
Dy5 Dy 0.43880 0.93518 0.21245 1.00000
Dy6 Dy 0.93880 0.06482 0.28755 1.00000
Dy7 Dy 0.56120 0.43518 0.78755 1.00000
Dy8 Dy 0.06120 0.56482 0.71245 1.00000
Dy9 Dy 0.25784 0.56355 0.96456 1.00000
Dy10 Dy 0.75784 0.43645 0.53544 1.00000
Dy11 Dy 0.74216 0.06355 0.03544 1.00000
Dy12 Dy 0.24216 0.93645 0.46456 1.00000
Dy13 Dy 0.74216 0.43645 0.03544 1.00000
Dy14 Dy 0.24216 0.56355 0.46456 1.00000
Dy15 Dy 0.25784 0.93645 0.96456 1.00000
Dy16 Dy 0.75784 0.06355 0.53544 1.00000
Er1 Er 0.03186 0.25000 0.85353 1.00000
Er2 Er 0.53186 0.75000 0.64647 1.00000
Er3 Er 0.96814 0.75000 0.14647 1.00000
Er4 Er 0.46814 0.25000 0.35353 1.00000
Er5 Er 0.27310 0.25000 0.60709 1.00000
Er6 Er 0.77310 0.75000 0.89291 1.00000
Er7 Er 0.72690 0.75000 0.39291 1.00000
Er8 Er 0.22690 0.25000 0.10709 1.00000
Tc1 Tc 0.85549 0.25000 0.68304 1.00000
Tc2 Tc 0.35549 0.75000 0.81696 1.00000
Tc3 Tc 0.14451 0.75000 0.31696 1.00000
Tc4 Tc 0.64451 0.25000 0.18304 1.00000
Tc5 Tc 0.42761 0.25000 0.93869 1.00000
Tc6 Tc 0.92761 0.75000 0.56131 1.00000
Tc7 Tc 0.57239 0.75000 0.06131 1.00000
Tc8 Tc 0.07239 0.25000 0.43869 1.00000
