LiHo(PaAs2)2
Alexandria ALEXAlex-ID: agm004837166 · Space group: P2/m (#10)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_343_spg10
Ho5PaAs6 Li3HoAs2 Pa3As4 PaAs2
2022-07-16 22:02:29.170999
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004837166).
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 agm004837166
data_agm004837166
_cell_length_a 4.11651
_cell_length_b 6.92235
_cell_length_c 7.13440
_cell_angle_alpha 70.00895
_cell_angle_beta 89.99971
_cell_angle_gamma 89.99968
_cell_volume 191.05145
_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
Li1 Li 0.50000 0.50000 1.00000 1.00000
Ho1 Ho 0.00000 0.49999 0.50000 1.00000
Pa1 Pa 0.00000 0.00000 1.00000 1.00000
Pa2 Pa 0.50000 0.00000 0.50000 1.00000
As1 As 0.00000 0.75403 0.75046 1.00000
As2 As 1.00000 0.24597 0.24954 1.00000
As3 As 0.50000 0.75006 0.24647 1.00000
As4 As 0.50000 0.24994 0.75353 1.00000
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