Th6InCo8
Alexandria ALEXAlex-ID: agm072657779 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C8_470_spg2
Th2Co17 Th2InCo2 ThCo
2024-10-05 21:04:42.280485
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072657779).
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 agm072657779
data_agm072657779
_cell_length_a 6.65081
_cell_length_b 7.56356
_cell_length_c 8.24081
_cell_angle_alpha 120.64559
_cell_angle_beta 117.40131
_cell_angle_gamma 82.77804
_cell_volume 313.40038
_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 0.18724 0.96555 0.89075 1.00000
Th2 Th 0.20381 0.42498 0.89054 1.00000
Th3 Th 0.49023 0.75479 0.49999 1.00000
Th4 Th 0.81276 0.03445 0.10925 1.00000
Th5 Th 0.79619 0.57502 0.10946 1.00000
Th6 Th 0.50977 0.24521 0.50001 1.00000
In1 In 0.00000 0.50000 0.50000 1.00000
Co1 Co 0.42945 0.63888 0.74763 1.00000
Co2 Co 0.57055 0.36112 0.25237 1.00000
Co3 Co 0.81770 0.60843 0.74765 1.00000
Co4 Co 0.50335 0.17590 0.86357 1.00000
Co5 Co 0.13804 0.81194 0.13596 1.00000
Co6 Co 0.18230 0.39157 0.25235 1.00000
Co7 Co 0.49665 0.82410 0.13643 1.00000
Co8 Co 0.86196 0.18806 0.86404 1.00000
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