Ho(Sc2H)4
Alexandria ALEXAlex-ID: agm098149652 · Space group: Pm (#6)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_1386_spg8
ScH2 Sc HoH2
2025-06-15 23:42:39
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm098149652).
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 agm098149652
data_agm098149652
_cell_length_a 3.27650
_cell_length_b 9.04712
_cell_length_c 8.95784
_cell_angle_alpha 60.15465
_cell_angle_beta 90.00276
_cell_angle_gamma 89.99768
_cell_volume 230.31870
_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 0.30784 0.99373 0.00033 1.00000
Sc1 Sc 0.80778 0.00979 0.32969 1.00000
Sc2 Sc 0.80758 0.64321 0.02924 1.00000
Sc3 Sc 0.80780 0.65890 0.66854 1.00000
Sc4 Sc 0.80776 0.31343 0.65851 1.00000
Sc5 Sc 0.30766 0.65208 0.36712 1.00000
Sc6 Sc 0.30756 0.32058 0.33530 1.00000
Sc7 Sc 0.30782 0.35155 0.97754 1.00000
Sc8 Sc 0.30772 0.96950 0.66614 1.00000
H1 H 0.80783 0.20331 0.93827 1.00000
H2 H 0.30757 0.49755 0.09068 1.00000
H3 H 0.80741 0.48138 0.35020 1.00000
H4 H 0.80768 0.90498 0.58844 1.00000
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