SrAs
Alexandria ALEXAlex-ID: agm004468337 · Space group: Fddd (#70)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB_2228_spg70
SrAs
2022-05-29 11:59:39.565525
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004468337).
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 agm004468337
data_agm004468337
_cell_length_a 12.97463
_cell_length_b 7.25384
_cell_length_c 10.22221
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 962.07308
_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
Sr1 Sr 0.00000 0.00000 0.21837 1.00000
Sr2 Sr 0.00000 0.00000 0.78163 1.00000
Sr3 Sr 0.25000 0.75000 0.03163 1.00000
Sr4 Sr 0.25000 0.75000 0.46837 1.00000
Sr5 Sr 0.00000 0.50000 0.71837 1.00000
Sr6 Sr 0.00000 0.50000 0.28163 1.00000
Sr7 Sr 0.25000 0.25000 0.53163 1.00000
Sr8 Sr 0.25000 0.25000 0.96837 1.00000
Sr9 Sr 0.50000 0.00000 0.71837 1.00000
Sr10 Sr 0.50000 0.00000 0.28163 1.00000
Sr11 Sr 0.75000 0.75000 0.53163 1.00000
Sr12 Sr 0.75000 0.75000 0.96837 1.00000
Sr13 Sr 0.50000 0.50000 0.21837 1.00000
Sr14 Sr 0.50000 0.50000 0.78163 1.00000
Sr15 Sr 0.75000 0.25000 0.03163 1.00000
Sr16 Sr 0.75000 0.25000 0.46837 1.00000
As1 As 0.00000 0.32310 0.00000 1.00000
As2 As 0.00000 0.67690 0.00000 1.00000
As3 As 0.25000 0.42690 0.25000 1.00000
As4 As 0.25000 0.07310 0.25000 1.00000
As5 As 0.00000 0.82310 0.50000 1.00000
As6 As 0.00000 0.17690 0.50000 1.00000
As7 As 0.25000 0.92690 0.75000 1.00000
As8 As 0.25000 0.57310 0.75000 1.00000
As9 As 0.50000 0.32310 0.50000 1.00000
As10 As 0.50000 0.67690 0.50000 1.00000
As11 As 0.75000 0.42690 0.75000 1.00000
As12 As 0.75000 0.07310 0.75000 1.00000
As13 As 0.50000 0.82310 0.00000 1.00000
As14 As 0.50000 0.17690 0.00000 1.00000
As15 As 0.75000 0.92690 0.25000 1.00000
As16 As 0.75000 0.57310 0.25000 1.00000
