Pm2DyThSc4
Alexandria ALEXAlex-ID: agm004863587 · Space group: P4/mmm (#123)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_268_spg115
DyTh Pm Sc
2023-01-29 02:01:26.065410
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004863587).
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 agm004863587
data_agm004863587
_cell_length_a 5.01240
_cell_length_b 5.01577
_cell_length_c 10.36516
_cell_angle_alpha 61.06808
_cell_angle_beta 89.99977
_cell_angle_gamma 89.99980
_cell_volume 228.06814
_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 0.00000 0.00000 1.00000 1.00000
Pm2 Pm 0.50000 0.00000 0.50000 1.00000
Dy1 Dy 0.50000 0.50000 1.00000 1.00000
Th1 Th 0.00000 0.49999 0.50000 1.00000
Sc1 Sc 0.00000 0.75274 0.74732 1.00000
Sc2 Sc 1.00000 0.24726 0.25268 1.00000
Sc3 Sc 0.50000 0.74705 0.25263 1.00000
Sc4 Sc 0.50000 0.25295 0.74736 1.00000
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