Sr3CaSn16
Alexandria ALEXAlex-ID: agm003224344 · Space group: Imm2 (#44)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C16_5_spg44
CaSn3 SrSn3 Sn
2021-12-23 15:29:42
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003224344).
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 agm003224344
data_agm003224344
_cell_length_a 11.40257
_cell_length_b 11.40257
_cell_length_c 11.40257
_cell_angle_alpha 155.91532
_cell_angle_beta 104.20435
_cell_angle_gamma 80.89035
_cell_volume 578.36637
_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 0.11190 0.61190 0.50000 1.00000
Sr2 Sr 0.13924 0.38965 0.74959 1.00000
Sr3 Sr 0.64006 0.38965 0.25041 1.00000
Ca1 Ca 0.61209 0.61209 0.00000 1.00000
Sn1 Sn 0.90758 0.40758 0.50000 1.00000
Sn2 Sn 0.41023 0.41023 0.00000 1.00000
Sn3 Sn 0.83841 0.59199 0.24642 1.00000
Sn4 Sn 0.34557 0.59199 0.75358 1.00000
Sn5 Sn 0.90692 0.80163 0.10529 1.00000
Sn6 Sn 0.40887 0.80303 0.60585 1.00000
Sn7 Sn 0.83359 0.19445 0.63914 1.00000
Sn8 Sn 0.34334 0.19537 0.14797 1.00000
Sn9 Sn 0.69635 0.80163 0.89471 1.00000
Sn10 Sn 0.19718 0.80303 0.39415 1.00000
Sn11 Sn 0.04741 0.19537 0.85203 1.00000
Sn12 Sn 0.55531 0.19445 0.36086 1.00000
Sn13 Sn 0.62239 0.00269 0.61970 1.00000
Sn14 Sn 0.12281 0.00029 0.12252 1.00000
Sn15 Sn 0.87777 0.00029 0.87748 1.00000
Sn16 Sn 0.38299 0.00269 0.38030 1.00000
