Be(Sn2As3)2
Alexandria ALEXAlex-ID: agm006107948 · Space group: Cc (#9)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C6_63_spg9
Sn4As3 BeSnAs2 As
2023-10-17 04:16:13
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006107948).
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 agm006107948
data_agm006107948
_cell_length_a 6.75761
_cell_length_b 7.93189
_cell_length_c 12.53679
_cell_angle_alpha 72.48246
_cell_angle_beta 74.36480
_cell_angle_gamma 64.78744
_cell_volume 571.94125
_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
Be1 Be 0.64957 0.83657 0.37788 1.00000
Be2 Be 0.13598 0.33657 0.87788 1.00000
Sn1 Sn 0.27341 0.01901 0.65171 1.00000
Sn2 Sn 0.05588 0.51901 0.15171 1.00000
Sn3 Sn 0.73067 0.20411 0.45632 1.00000
Sn4 Sn 0.60889 0.70411 0.95632 1.00000
Sn5 Sn 0.89981 0.64747 0.64443 1.00000
Sn6 Sn 0.80829 0.14747 0.14443 1.00000
Sn7 Sn 0.61633 0.23197 0.82262 1.00000
Sn8 Sn 0.32907 0.73197 0.32262 1.00000
As1 As 0.46881 0.49640 0.15802 1.00000
As2 As 0.87677 0.99640 0.65802 1.00000
As3 As 0.57436 0.54731 0.50994 1.00000
As4 As 0.36838 0.04731 0.00994 1.00000
As5 As 0.41431 0.10726 0.42883 1.00000
As6 As 0.04960 0.60726 0.92883 1.00000
As7 As 0.02225 0.09891 0.93759 1.00000
As8 As 0.94125 0.59891 0.43759 1.00000
As9 As 0.06636 0.15669 0.27555 1.00000
As10 As 0.50140 0.65669 0.77555 1.00000
As11 As 0.27093 0.34050 0.69130 1.00000
As12 As 0.69727 0.84050 0.19130 1.00000
