CsCa2Sn
Alexandria ALEXAlex-ID: agm002810730 · Space group: I4_1/amd (#141)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_139_spg141
Ca2Sn Cs
2016-10-28 17:34:44
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002810730).
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 agm002810730
data_agm002810730
_cell_length_a 7.63138
_cell_length_b 7.63138
_cell_length_c 10.83127
_cell_angle_alpha 69.37287
_cell_angle_beta 69.37287
_cell_angle_gamma 90.00000
_cell_volume 546.93304
_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
Cs1 Cs 0.00000 0.00000 0.00000 1.00000
Cs2 Cs 0.75000 0.25000 0.50000 1.00000
Ca1 Ca 0.37704 0.12500 0.25000 1.00000
Ca2 Ca 0.37296 0.62500 0.25000 1.00000
Ca3 Ca 0.37500 0.62296 0.75000 1.00000
Ca4 Ca 0.87500 0.62704 0.75000 1.00000
Sn1 Sn 0.50000 0.50000 0.00000 1.00000
Sn2 Sn 0.25000 0.75000 0.50000 1.00000
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