Th5SiAs4
Alexandria ALEXAlex-ID: agm062416639 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C5_457_spg12
Th4SiAs3 ThAs
2025-01-21 23:31:45
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm062416639).
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 agm062416639
data_agm062416639
_cell_length_a 15.35269
_cell_length_b 15.35269
_cell_length_c 15.35269
_cell_angle_alpha 164.06336
_cell_angle_beta 164.06336
_cell_angle_gamma 22.61168
_cell_volume 272.76579
_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
Th1 Th 0.09907 0.09907 0.00000 1.00000
Th2 Th 0.50000 0.50000 0.00000 1.00000
Th3 Th 0.90093 0.90093 0.00000 1.00000
Th4 Th 0.29978 0.29978 0.00000 1.00000
Th5 Th 0.70022 0.70022 0.00000 1.00000
Si1 Si 0.00000 0.00000 0.00000 1.00000
As1 As 0.39960 0.39960 0.00000 1.00000
As2 As 0.80030 0.80030 0.00000 1.00000
As3 As 0.19970 0.19970 0.00000 1.00000
As4 As 0.60040 0.60040 0.00000 1.00000
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