YHo2As3
Alexandria ALEXAlex-ID: agm017678394 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_35_spg14
Y2HoAs3 YHo3As4
2025-01-20 10:57:36
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017678394).
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 agm017678394
data_agm017678394
_cell_length_a 5.80784
_cell_length_b 8.20243
_cell_length_c 12.33964
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 587.84007
_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
Y1 Y 0.75000 0.87481 0.58303 1.00000
Y2 Y 0.75000 0.37481 0.91697 1.00000
Y3 Y 0.25000 0.62519 0.08303 1.00000
Y4 Y 0.25000 0.12519 0.41697 1.00000
Ho1 Ho 0.75000 0.87509 0.25043 1.00000
Ho2 Ho 0.75000 0.37509 0.24957 1.00000
Ho3 Ho 0.75000 0.87530 0.91655 1.00000
Ho4 Ho 0.75000 0.37530 0.58345 1.00000
Ho5 Ho 0.25000 0.62470 0.41655 1.00000
Ho6 Ho 0.25000 0.12470 0.08345 1.00000
Ho7 Ho 0.25000 0.62491 0.75043 1.00000
Ho8 Ho 0.25000 0.12491 0.74957 1.00000
As1 As 0.75000 0.62620 0.08371 1.00000
As2 As 0.75000 0.12620 0.41629 1.00000
As3 As 0.75000 0.62397 0.41605 1.00000
As4 As 0.75000 0.12397 0.08395 1.00000
As5 As 0.75000 0.62504 0.75026 1.00000
As6 As 0.75000 0.12504 0.74974 1.00000
As7 As 0.25000 0.87496 0.25026 1.00000
As8 As 0.25000 0.37496 0.24974 1.00000
As9 As 0.25000 0.87603 0.91605 1.00000
As10 As 0.25000 0.37603 0.58395 1.00000
As11 As 0.25000 0.87380 0.58371 1.00000
As12 As 0.25000 0.37380 0.91629 1.00000
