Th3Al7Co4
Alexandria ALEXAlex-ID: agm005705652 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C7_8_spg12
Th5Al11Co6 AlCo
2023-06-29 15:55:08.060968
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005705652).
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 agm005705652
data_agm005705652
_cell_length_a 4.12362
_cell_length_b 7.89798
_cell_length_c 8.48313
_cell_angle_alpha 70.15201
_cell_angle_beta 75.93348
_cell_angle_gamma 74.86730
_cell_volume 247.20345
_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 0.30562 0.18227 0.20649 1.00000
Th2 Th 0.69438 0.81773 0.79351 1.00000
Th3 Th 0.00000 0.50000 0.50000 1.00000
Al1 Al 0.32288 0.83804 0.51621 1.00000
Al2 Al 0.48936 0.23015 0.79114 1.00000
Al3 Al 0.84117 0.39329 0.92438 1.00000
Al4 Al 0.67712 0.16196 0.48379 1.00000
Al5 Al 0.15883 0.60671 0.07562 1.00000
Al6 Al 0.00000 0.00000 0.00000 1.00000
Al7 Al 0.51064 0.76985 0.20886 1.00000
Co1 Co 0.66620 0.44712 0.22048 1.00000
Co2 Co 0.33380 0.55288 0.77952 1.00000
Co3 Co 0.89070 0.88132 0.33727 1.00000
Co4 Co 0.10930 0.11868 0.66273 1.00000
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