SrAs3
Alexandria ALEXAlex-ID: agm002136156 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3_158_spg12
SrAs3
2023-03-24 06:29:36.427423
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002136156).
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 agm002136156
data_agm002136156
_cell_length_a 5.94958
_cell_length_b 6.22117
_cell_length_c 6.22053
_cell_angle_alpha 76.85198
_cell_angle_beta 72.21655
_cell_angle_gamma 72.18760
_cell_volume 206.43746
_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 0.66834 0.66432 0.66487 1.00000
Sr2 Sr 0.33166 0.33568 0.33513 1.00000
As1 As 0.78502 0.00551 0.00552 1.00000
As2 As 0.21498 0.99449 0.99448 1.00000
As3 As 0.19547 0.86920 0.40772 1.00000
As4 As 0.80453 0.13080 0.59228 1.00000
As5 As 0.80489 0.59222 0.13125 1.00000
As6 As 0.19511 0.40778 0.86875 1.00000
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