Th8CoRh5
Alexandria ALEXAlex-ID: agm006109239 · Space group: I-4 (#82)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C8_123_spg5
Th7Rh3 Th7Co3 ThRh
2023-08-11 02:54:04.293714
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006109239).
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 agm006109239
data_agm006109239
_cell_length_a 7.66548
_cell_length_b 7.66548
_cell_length_c 7.66548
_cell_angle_alpha 109.98346
_cell_angle_beta 108.45152
_cell_angle_gamma 109.98346
_cell_volume 346.65217
_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 0.12804 0.74165 0.97649 1.00000
Th2 Th 0.02351 0.15154 0.76516 1.00000
Th3 Th 0.73445 0.24926 0.37527 1.00000
Th4 Th 0.62473 0.35919 0.87399 1.00000
Th5 Th 0.51481 0.64081 0.26555 1.00000
Th6 Th 0.61362 0.84846 0.87196 1.00000
Th7 Th 0.23484 0.25835 0.38638 1.00000
Th8 Th 0.12601 0.75074 0.48519 1.00000
Co1 Co 0.25000 0.50000 0.75000 1.00000
Rh1 Rh 0.98764 0.36290 0.12434 1.00000
Rh2 Rh 0.87566 0.86331 0.23856 1.00000
Rh3 Rh 0.76144 0.63710 0.62475 1.00000
Rh4 Rh 0.50000 0.00000 0.50000 1.00000
Rh5 Rh 0.37525 0.13669 0.01236 1.00000
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