Th2Co7
Alexandria ALEXAlex-ID: agm005287992 · Space group: P6_3/mmc (#194)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B7_10_spg194
Th2Co17 ThCo
2024-10-04 08:13:10
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005287992).
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 agm005287992
data_agm005287992
_cell_length_a 4.95946
_cell_length_b 4.95946
_cell_length_c 24.88554
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 120.00000
_cell_volume 530.08684
_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
Th1 Th 0.33333 0.66667 0.17407 1.00000
Th2 Th 0.33333 0.66667 0.32593 1.00000
Th3 Th 0.33333 0.66667 0.46942 1.00000
Th4 Th 0.33333 0.66667 0.03058 1.00000
Th5 Th 0.66667 0.33333 0.96942 1.00000
Th6 Th 0.66667 0.33333 0.67407 1.00000
Th7 Th 0.66667 0.33333 0.53058 1.00000
Th8 Th 0.66667 0.33333 0.82593 1.00000
Co1 Co 0.00000 0.00000 0.66840 1.00000
Co2 Co 0.16571 0.33142 0.91204 1.00000
Co3 Co 0.16571 0.83429 0.91204 1.00000
Co4 Co 0.83429 0.16571 0.41204 1.00000
Co5 Co 0.83312 0.16688 0.25000 1.00000
Co6 Co 0.66858 0.83429 0.91204 1.00000
Co7 Co 0.33142 0.16571 0.41204 1.00000
Co8 Co 0.83429 0.66858 0.41204 1.00000
Co9 Co 0.33142 0.16571 0.08796 1.00000
Co10 Co 0.83429 0.66858 0.08796 1.00000
Co11 Co 0.83429 0.16571 0.08796 1.00000
Co12 Co 0.33333 0.66667 0.66739 1.00000
Co13 Co 0.33333 0.66667 0.83261 1.00000
Co14 Co 0.33375 0.16688 0.25000 1.00000
Co15 Co 0.00000 0.00000 0.33160 1.00000
Co16 Co 0.16688 0.33375 0.75000 1.00000
Co17 Co 0.83312 0.66625 0.25000 1.00000
Co18 Co 0.00000 0.00000 0.00000 1.00000
Co19 Co 0.66858 0.83429 0.58796 1.00000
Co20 Co 0.00000 0.00000 0.16840 1.00000
Co21 Co 0.66625 0.83312 0.75000 1.00000
Co22 Co 0.00000 0.00000 0.83160 1.00000
Co23 Co 0.16571 0.83429 0.58796 1.00000
Co24 Co 0.16688 0.83312 0.75000 1.00000
Co25 Co 0.66667 0.33333 0.33261 1.00000
Co26 Co 0.16571 0.33142 0.58796 1.00000
Co27 Co 0.00000 0.00000 0.50000 1.00000
Co28 Co 0.66667 0.33333 0.16739 1.00000
