DyTh2P3
Alexandria ALEXAlex-ID: agm014140746 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_31_spg52
DyTh4P5 Dy3ThP4
2025-03-07 05:54:49
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm014140746).
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 agm014140746
data_agm014140746
_cell_length_a 5.80086
_cell_length_b 8.21109
_cell_length_c 12.31061
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 586.37126
_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 0.25000 0.87687 0.08298 1.00000
Dy2 Dy 0.25000 0.37687 0.41702 1.00000
Dy3 Dy 0.75000 0.62313 0.58298 1.00000
Dy4 Dy 0.75000 0.12313 0.91702 1.00000
Th1 Th 0.25000 0.87522 0.74926 1.00000
Th2 Th 0.25000 0.37522 0.75074 1.00000
Th3 Th 0.25000 0.87304 0.41696 1.00000
Th4 Th 0.25000 0.37304 0.08304 1.00000
Th5 Th 0.75000 0.62696 0.91696 1.00000
Th6 Th 0.75000 0.12696 0.58304 1.00000
Th7 Th 0.75000 0.62478 0.24926 1.00000
Th8 Th 0.75000 0.12478 0.25074 1.00000
P1 P 0.25000 0.62093 0.58208 1.00000
P2 P 0.25000 0.12093 0.91792 1.00000
P3 P 0.25000 0.62956 0.91904 1.00000
P4 P 0.25000 0.12956 0.58096 1.00000
P5 P 0.25000 0.62484 0.24940 1.00000
P6 P 0.25000 0.12484 0.25060 1.00000
P7 P 0.75000 0.87516 0.74940 1.00000
P8 P 0.75000 0.37516 0.75060 1.00000
P9 P 0.75000 0.87044 0.41904 1.00000
P10 P 0.75000 0.37044 0.08096 1.00000
P11 P 0.75000 0.87907 0.08208 1.00000
P12 P 0.75000 0.37907 0.41792 1.00000
