Dy3ThC2
Alexandria ALEXAlex-ID: agm005692291 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_2203_spg166
Dy(ThC)2 DyTh4 Dy2C
2023-08-07 08:08:34.989620
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005692291).
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 agm005692291
data_agm005692291
_cell_length_a 7.22225
_cell_length_b 7.22225
_cell_length_c 7.48273
_cell_angle_alpha 61.14499
_cell_angle_beta 61.14499
_cell_angle_gamma 60.00000
_cell_volume 280.66838
_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 0.23861 0.74262 0.78017 1.00000
Dy2 Dy 0.74262 0.23861 0.78017 1.00000
Dy3 Dy 0.23861 0.23861 0.78017 1.00000
Dy4 Dy 0.25738 0.76139 0.21983 1.00000
Dy5 Dy 0.76139 0.25738 0.21983 1.00000
Dy6 Dy 0.76139 0.76139 0.21983 1.00000
Th1 Th 0.25835 0.25835 0.22495 1.00000
Th2 Th 0.74165 0.74165 0.77505 1.00000
C1 C 0.00000 0.00000 0.00000 1.00000
C2 C 0.50000 0.00000 0.00000 1.00000
C3 C 0.50000 0.50000 0.00000 1.00000
C4 C 0.00000 0.50000 0.00000 1.00000
Get direct link