Ca(SnSb2)2
Alexandria ALEXAlex-ID: agm096311069 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_190_spg87
Ca(SnSb)2 Sb
2025-04-10 15:24:38
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm096311069).
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
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# CIF generated by HEAS from Alexandria entry agm096311069
data_agm096311069
_cell_length_a 4.39502
_cell_length_b 6.42634
_cell_length_c 8.27438
_cell_angle_alpha 89.12335
_cell_angle_beta 74.61724
_cell_angle_gamma 89.98538
_cell_volume 225.30023
_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
Ca1 Ca 0.15762 0.45014 0.89917 1.00000
Sn1 Sn 0.06812 0.97393 0.07821 1.00000
Sn2 Sn 0.37863 0.02893 0.45599 1.00000
Sb1 Sb 0.67651 0.82455 0.86122 1.00000
Sb2 Sb 0.93882 0.64066 0.33740 1.00000
Sb3 Sb 0.77610 0.20118 0.66156 1.00000
Sb4 Sb 0.50420 0.38062 0.20644 1.00000
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