Ho3ThC2
Alexandria ALEXAlex-ID: agm005692297 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_2203_spg166
Ho(ThC)2 Th Ho2C
2023-08-07 08:11:41.247448
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005692297).
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 agm005692297
data_agm005692297
_cell_length_a 7.19891
_cell_length_b 7.19891
_cell_length_c 7.43715
_cell_angle_alpha 61.05413
_cell_angle_beta 61.05414
_cell_angle_gamma 60.00000
_cell_volume 276.79844
_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
Ho1 Ho 0.23874 0.74210 0.78043 1.00000
Ho2 Ho 0.74210 0.23874 0.78043 1.00000
Ho3 Ho 0.23874 0.23874 0.78043 1.00000
Ho4 Ho 0.25790 0.76126 0.21957 1.00000
Ho5 Ho 0.76126 0.25790 0.21957 1.00000
Ho6 Ho 0.76126 0.76126 0.21957 1.00000
Th1 Th 0.25734 0.25734 0.22797 1.00000
Th2 Th 0.74266 0.74266 0.77203 1.00000
C1 C 0.00000 0.00000 0.00000 1.00000
C2 C 0.50000 0.00000 0.00000 1.00000
C3 C 0.50000 0.50000 0.00000 1.00000
C4 C 0.00000 0.50000 0.00000 1.00000
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