CeTh5Co2
Alexandria ALEXAlex-ID: agm006019084 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C5_1103_spg11
Ce3Th Th7Co3
2023-09-08 06:38:05
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006019084).
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 agm006019084
data_agm006019084
_cell_length_a 3.64096
_cell_length_b 7.15759
_cell_length_c 17.40836
_cell_angle_alpha 90.00573
_cell_angle_beta 90.00263
_cell_angle_gamma 106.16158
_cell_volume 435.74161
_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
Ce1 Ce 0.75093 0.55733 0.74994 1.00000
Ce2 Ce 0.24900 0.44256 0.25005 1.00000
Th1 Th 0.94686 0.88765 0.91259 1.00000
Th2 Th 0.94695 0.88783 0.58743 1.00000
Th3 Th 0.33047 0.66327 0.42811 1.00000
Th4 Th 0.33050 0.66316 0.07193 1.00000
Th5 Th 0.47139 0.98281 0.24996 1.00000
Th6 Th 0.52863 0.01720 0.75006 1.00000
Th7 Th 0.66954 0.33674 0.57197 1.00000
Th8 Th 0.66952 0.33688 0.92801 1.00000
Th9 Th 0.05313 0.11235 0.08734 1.00000
Th10 Th 0.05308 0.11218 0.41266 1.00000
Co1 Co 0.69575 0.38207 0.38135 1.00000
Co2 Co 0.69579 0.38202 0.11908 1.00000
Co3 Co 0.30426 0.61793 0.61877 1.00000
Co4 Co 0.30421 0.61801 0.88076 1.00000
Get direct link