HoSc3C2
Alexandria ALEXAlex-ID: agm005698301 · Space group: Pn-3m (#224)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_1026_spg224
Sc2C Ho2C
2023-08-07 08:24:44.366479
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005698301).
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 agm005698301
data_agm005698301
_cell_length_a 8.14579
_cell_length_b 8.14578
_cell_length_c 5.77377
_cell_angle_alpha 45.13704
_cell_angle_beta 45.13704
_cell_angle_gamma 59.99995
_cell_volume 192.46992
_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 0.24893 0.24893 0.25320 1.00000
Ho2 Ho 0.75107 0.75107 0.74680 1.00000
Sc1 Sc 0.25021 0.74944 0.75014 1.00000
Sc2 Sc 0.74944 0.25021 0.75014 1.00000
Sc3 Sc 0.25021 0.25021 0.75014 1.00000
Sc4 Sc 0.25056 0.74979 0.24986 1.00000
Sc5 Sc 0.74979 0.25056 0.24986 1.00000
Sc6 Sc 0.74979 0.74979 0.24986 1.00000
C1 C 0.00000 0.00000 0.00000 1.00000
C2 C 0.50000 0.00000 0.00000 1.00000
C3 C 0.50000 0.50000 0.00000 1.00000
C4 C 0.00000 0.50000 0.00000 1.00000
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