Ca(CuSn3)2
Alexandria ALEXAlex-ID: agm097302296 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_6284_spg1
CaSn3 Sn Cu
2025-04-06 20:51:01
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097302296).
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 agm097302296
data_agm097302296
_cell_length_a 4.66245
_cell_length_b 4.48033
_cell_length_c 11.13106
_cell_angle_alpha 103.32117
_cell_angle_beta 99.27043
_cell_angle_gamma 91.53304
_cell_volume 222.81404
_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 0.19051 0.49201 0.89733 1.00000
Cu1 Cu 0.17585 0.86669 0.68642 1.00000
Cu2 Cu 0.03194 0.28861 0.56277 1.00000
Sn1 Sn 0.81709 0.62279 0.14263 1.00000
Sn2 Sn 0.12549 0.68569 0.42475 1.00000
Sn3 Sn 0.68697 0.97204 0.86463 1.00000
Sn4 Sn 0.59971 0.07316 0.37360 1.00000
Sn5 Sn 0.57716 0.36220 0.67045 1.00000
Sn6 Sn 0.29529 0.13680 0.12742 1.00000
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