PmDy5ErTh2
Alexandria ALEXAlex-ID: agm005177705 · Space group: I4/mcm (#140)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D5_275_spg140
Pm2Dy7 PmDy8 DyErTh2
2023-01-17 20:23:28.805723
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005177705).
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 agm005177705
data_agm005177705
_cell_length_a 8.83945
_cell_length_b 8.83945
_cell_length_c 9.87570
_cell_angle_alpha 116.58564
_cell_angle_beta 116.58564
_cell_angle_gamma 90.00000
_cell_volume 597.42778
_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
Pm1 Pm 0.25000 0.25000 0.50000 1.00000
Pm2 Pm 0.75000 0.75000 0.50000 1.00000
Dy1 Dy 0.92941 0.42941 0.27630 1.00000
Dy2 Dy 0.65311 0.15311 0.72370 1.00000
Dy3 Dy 0.07059 0.57059 0.72370 1.00000
Dy4 Dy 0.15311 0.07059 0.72370 1.00000
Dy5 Dy 0.57059 0.65311 0.72370 1.00000
Dy6 Dy 0.84689 0.92941 0.27630 1.00000
Dy7 Dy 0.42941 0.34689 0.27630 1.00000
Dy8 Dy 0.34689 0.84689 0.27630 1.00000
Dy9 Dy 0.50000 0.50000 0.00000 1.00000
Dy10 Dy 0.00000 0.00000 0.00000 1.00000
Er1 Er 0.25000 0.75000 0.50000 1.00000
Er2 Er 0.75000 0.25000 0.50000 1.00000
Th1 Th 0.11898 0.38102 0.00000 1.00000
Th2 Th 0.61898 0.11898 0.00000 1.00000
Th3 Th 0.38102 0.88102 1.00000 1.00000
Th4 Th 0.88102 0.61898 0.00000 1.00000
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