Sr3(CaSn2)2
Alexandria ALEXAlex-ID: agm032575492 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_1137_spg14
SrCaSn CaSn SrSn
2025-02-22 22:33:46
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm032575492).
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 agm032575492
data_agm032575492
_cell_length_a 8.29870
_cell_length_b 8.78163
_cell_length_c 8.79579
_cell_angle_alpha 90.00000
_cell_angle_beta 106.80511
_cell_angle_gamma 90.00000
_cell_volume 613.62785
_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 0.50000 0.50000 0.50000 1.00000
Sr2 Sr 0.00000 0.00000 0.50000 1.00000
Sr3 Sr 0.43298 0.82380 0.81102 1.00000
Sr4 Sr 0.06702 0.32380 0.18898 1.00000
Sr5 Sr 0.56702 0.17620 0.18898 1.00000
Sr6 Sr 0.93298 0.67620 0.81102 1.00000
Ca1 Ca 0.25233 0.32459 0.75680 1.00000
Ca2 Ca 0.24767 0.82459 0.24320 1.00000
Ca3 Ca 0.74767 0.67541 0.24320 1.00000
Ca4 Ca 0.75233 0.17541 0.75680 1.00000
Sn1 Sn 0.63659 0.46786 0.92595 1.00000
Sn2 Sn 0.86341 0.96786 0.07405 1.00000
Sn3 Sn 0.36341 0.53214 0.07405 1.00000
Sn4 Sn 0.13659 0.03214 0.92595 1.00000
Sn5 Sn 0.38250 0.12156 0.49887 1.00000
Sn6 Sn 0.11750 0.62156 0.50113 1.00000
Sn7 Sn 0.61750 0.87844 0.50113 1.00000
Sn8 Sn 0.88250 0.37844 0.49887 1.00000
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