Ho8Th4Sc
Alexandria ALEXAlex-ID: agm006089062 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_115_spg166
Ho2Th Sc
2023-08-30 19:39:17.082548
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006089062).
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 agm006089062
data_agm006089062
_cell_length_a 7.34178
_cell_length_b 7.34185
_cell_length_c 9.70010
_cell_angle_alpha 90.00023
_cell_angle_beta 112.23494
_cell_angle_gamma 120.00048
_cell_volume 407.29180
_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 0.55840 0.77920 0.33762 1.00000
Ho2 Ho 0.44160 0.22080 0.66238 1.00000
Ho3 Ho 0.50591 0.25295 0.31369 1.00000
Ho4 Ho 0.93928 0.19223 0.68632 1.00000
Ho5 Ho 0.49409 0.74705 0.68631 1.00000
Ho6 Ho 0.93928 0.74705 0.68632 1.00000
Ho7 Ho 0.06072 0.25295 0.31368 1.00000
Ho8 Ho 0.06072 0.80777 0.31368 1.00000
Th1 Th 0.00000 0.00000 0.00000 1.00000
Th2 Th 0.00000 0.50000 0.00000 1.00000
Th3 Th 0.50000 0.50000 0.00000 1.00000
Th4 Th 0.50000 0.00000 0.00000 1.00000
Sc1 Sc 0.00000 0.50000 0.50000 1.00000
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