Ho2ScAs3
Alexandria ALEXAlex-ID: agm033161024 · Space group: Fddd (#70)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_36_spg70
ScAs HoAs
2025-04-15 09:12:06
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm033161024).
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 agm033161024
data_agm033161024
_cell_length_a 13.36267
_cell_length_b 12.74344
_cell_length_c 6.97340
_cell_angle_alpha 79.47577
_cell_angle_beta 69.65515
_cell_angle_gamma 30.86908
_cell_volume 554.47145
_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 0.99897 0.99897 0.50103 1.00000
Ho2 Ho 0.41749 0.41749 0.58251 1.00000
Ho3 Ho 0.83251 0.83251 0.66749 1.00000
Ho4 Ho 0.25103 0.25103 0.74897 1.00000
Ho5 Ho 0.74897 0.74897 0.25103 1.00000
Ho6 Ho 0.66749 0.66749 0.83251 1.00000
Ho7 Ho 0.58251 0.58251 0.41749 1.00000
Ho8 Ho 0.50103 0.50103 0.99897 1.00000
Sc1 Sc 0.91646 0.91646 0.08354 1.00000
Sc2 Sc 0.33354 0.33354 0.16646 1.00000
Sc3 Sc 0.16646 0.16646 0.33354 1.00000
Sc4 Sc 0.08354 0.08354 0.91646 1.00000
As1 As 0.66436 0.16538 0.84482 1.00000
As2 As 0.16538 0.66436 0.32544 1.00000
As3 As 0.58564 0.08462 0.40518 1.00000
As4 As 0.08462 0.58564 0.92456 1.00000
As5 As 0.48981 0.01019 0.01019 1.00000
As6 As 0.01019 0.48981 0.48981 1.00000
As7 As 0.92456 0.40518 0.08462 1.00000
As8 As 0.40518 0.92456 0.58564 1.00000
As9 As 0.32544 0.84482 0.16538 1.00000
As10 As 0.84482 0.32544 0.66436 1.00000
As11 As 0.76019 0.23981 0.23981 1.00000
As12 As 0.23981 0.76019 0.76019 1.00000
