HoSc3Tc
Alexandria ALEXAlex-ID: agm005909693 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_5593_spg11
Sc3Tc Ho
2023-07-05 17:01:17.680065
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005909693).
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 agm005909693
data_agm005909693
_cell_length_a 3.47208
_cell_length_b 8.34494
_cell_length_c 8.32531
_cell_angle_alpha 74.08565
_cell_angle_beta 90.00001
_cell_angle_gamma 90.00000
_cell_volume 231.97450
_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 0.75000 0.17171 0.44548 1.00000
Ho2 Ho 0.25000 0.82829 0.55452 1.00000
Sc1 Sc 0.25000 0.40217 0.14145 1.00000
Sc2 Sc 0.75000 0.59783 0.85855 1.00000
Sc3 Sc 0.25000 0.01894 0.15381 1.00000
Sc4 Sc 0.75000 0.98106 0.84619 1.00000
Sc5 Sc 0.25000 0.35678 0.69243 1.00000
Sc6 Sc 0.75000 0.64322 0.30757 1.00000
Tc1 Tc 0.75000 0.26170 0.95389 1.00000
Tc2 Tc 0.25000 0.73830 0.04611 1.00000
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