Ho3ScCd7
Alexandria ALEXAlex-ID: agm005994591 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C7_171_spg63
HoCd2 ScCd
2023-08-12 22:46:33.547226
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005994591).
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 agm005994591
data_agm005994591
_cell_length_a 3.33192
_cell_length_b 10.91919
_cell_length_c 15.37803
_cell_angle_alpha 90.00001
_cell_angle_beta 90.00000
_cell_angle_gamma 98.77599
_cell_volume 552.93131
_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 0.11721 0.23443 0.46702 1.00000
Ho2 Ho 0.88279 0.76557 0.53298 1.00000
Ho3 Ho 0.24657 0.49314 0.75000 1.00000
Ho4 Ho 0.75343 0.50686 0.25000 1.00000
Ho5 Ho 0.11721 0.23443 0.03298 1.00000
Ho6 Ho 0.88279 0.76557 0.96702 1.00000
Sc1 Sc 0.97883 0.95766 0.25000 1.00000
Sc2 Sc 0.02117 0.04234 0.75000 1.00000
Cd1 Cd 0.39644 0.79287 0.75000 1.00000
Cd2 Cd 0.60356 0.20713 0.25000 1.00000
Cd3 Cd 0.49709 0.99418 0.40964 1.00000
Cd4 Cd 0.50291 0.00582 0.59036 1.00000
Cd5 Cd 0.50291 0.00582 0.90964 1.00000
Cd6 Cd 0.49709 0.99418 0.09036 1.00000
Cd7 Cd 0.37447 0.74895 0.34241 1.00000
Cd8 Cd 0.62553 0.25105 0.65759 1.00000
Cd9 Cd 0.25965 0.51929 0.42449 1.00000
Cd10 Cd 0.74035 0.48071 0.57551 1.00000
Cd11 Cd 0.74035 0.48071 0.92449 1.00000
Cd12 Cd 0.25965 0.51929 0.07551 1.00000
Cd13 Cd 0.37447 0.74895 0.15759 1.00000
Cd14 Cd 0.62553 0.25105 0.84241 1.00000
