Dy(ThCo)4
Alexandria ALEXAlex-ID: agm003594838 · Space group: P4_2/n (#86)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C4_177_spg86
Dy2ThCo ThCo
2022-04-04 16:41:43.328893
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003594838).
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 agm003594838
data_agm003594838
_cell_length_a 5.57225
_cell_length_b 8.62804
_cell_length_c 8.62804
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 414.81599
_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 0.00000 0.00000 0.00000 1.00000
Dy2 Dy 0.50000 0.50000 0.50000 1.00000
Th1 Th 0.43735 0.30657 0.91145 1.00000
Th2 Th 0.93735 0.58855 0.80657 1.00000
Th3 Th 0.43735 0.69343 0.08855 1.00000
Th4 Th 0.06265 0.19343 0.58855 1.00000
Th5 Th 0.56265 0.91145 0.69343 1.00000
Th6 Th 0.06265 0.80657 0.41145 1.00000
Th7 Th 0.93735 0.41145 0.19343 1.00000
Th8 Th 0.56265 0.08855 0.30657 1.00000
Co1 Co 0.57271 0.79142 0.37308 1.00000
Co2 Co 0.57271 0.20858 0.62692 1.00000
Co3 Co 0.07271 0.87308 0.70858 1.00000
Co4 Co 0.92729 0.29142 0.87308 1.00000
Co5 Co 0.92729 0.70858 0.12692 1.00000
Co6 Co 0.42729 0.37308 0.20858 1.00000
Co7 Co 0.42729 0.62692 0.79142 1.00000
Co8 Co 0.07271 0.12692 0.29142 1.00000
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