CeHo4Sc
Alexandria ALEXAlex-ID: agm005776236 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_2907_spg62
Ce Ho Sc
2023-07-31 10:56:12.269064
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005776236).
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 agm005776236
data_agm005776236
_cell_length_a 10.57980
_cell_length_b 5.57366
_cell_length_c 12.21531
_cell_angle_alpha 89.99775
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 720.31467
_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
Ce1 Ce 0.91655 0.74994 0.78987 1.00000
Ce2 Ce 0.41655 0.25006 0.71013 1.00000
Ce3 Ce 0.08345 0.25006 0.21013 1.00000
Ce4 Ce 0.58345 0.74994 0.28987 1.00000
Ho1 Ho 0.91702 0.24998 0.95660 1.00000
Ho2 Ho 0.41702 0.75002 0.54340 1.00000
Ho3 Ho 0.08298 0.75002 0.04340 1.00000
Ho4 Ho 0.58298 0.24998 0.45660 1.00000
Ho5 Ho 0.25389 0.25000 0.95858 1.00000
Ho6 Ho 0.75389 0.75000 0.54142 1.00000
Ho7 Ho 0.74611 0.75000 0.04142 1.00000
Ho8 Ho 0.24611 0.25000 0.45858 1.00000
Ho9 Ho 0.57930 0.75004 0.79538 1.00000
Ho10 Ho 0.07930 0.24996 0.70462 1.00000
Ho11 Ho 0.42070 0.24996 0.20462 1.00000
Ho12 Ho 0.92070 0.75004 0.29538 1.00000
Ho13 Ho 0.24846 0.74999 0.78802 1.00000
Ho14 Ho 0.74846 0.25001 0.71198 1.00000
Ho15 Ho 0.75154 0.25001 0.21198 1.00000
Ho16 Ho 0.25154 0.74999 0.28802 1.00000
Sc1 Sc 0.58004 0.25001 0.95774 1.00000
Sc2 Sc 0.08004 0.74999 0.54226 1.00000
Sc3 Sc 0.41996 0.74999 0.04226 1.00000
Sc4 Sc 0.91996 0.25001 0.45774 1.00000
