AsS15
Alexandria ALEXAlex-ID: agm044674438 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB15_26_spg1
AsS15
2025-02-28 19:36:28.783433
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm044674438).
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 agm044674438
data_agm044674438
_cell_length_a 5.93784
_cell_length_b 9.61737
_cell_length_c 10.07423
_cell_angle_alpha 88.45649
_cell_angle_beta 98.86883
_cell_angle_gamma 98.23553
_cell_volume 562.55574
_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
As1 As 0.55524 0.06154 0.39017 1.00000
S1 S 0.09400 0.94032 0.08675 1.00000
S2 S 0.50384 0.81678 0.42221 1.00000
S3 S 0.81154 0.48004 0.09421 1.00000
S4 S 0.09653 0.69163 0.59481 1.00000
S5 S 0.87190 0.05444 0.54597 1.00000
S6 S 0.25974 0.36811 0.98581 1.00000
S7 S 0.41052 0.15896 0.56183 1.00000
S8 S 0.54403 0.89012 0.94377 1.00000
S9 S 0.84245 0.54064 0.58171 1.00000
S10 S 0.27480 0.99105 0.90869 1.00000
S11 S 0.82257 0.04059 0.05802 1.00000
S12 S 0.16563 0.73961 0.39187 1.00000
S13 S 0.10051 0.55536 0.02809 1.00000
S14 S 0.10454 0.22561 0.49289 1.00000
S15 S 0.54217 0.44521 0.91322 1.00000
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