CaCe5Sn6
Alexandria ALEXAlex-ID: agm006089217 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_47_spg65
Ce2Sn3 Ce5Sn4 CaSn
2023-09-17 06:27:09.433240
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006089217).
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 agm006089217
data_agm006089217
_cell_length_a 5.81378
_cell_length_b 6.63265
_cell_length_c 9.18349
_cell_angle_alpha 90.00000
_cell_angle_beta 71.54652
_cell_angle_gamma 89.99999
_cell_volume 335.91414
_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 0.00000 0.00000 0.00000 1.00000
Sn1 Sn 0.83311 0.75316 0.33378 1.00000
Sn2 Sn 0.83311 0.24684 0.33378 1.00000
Sn3 Sn 0.50000 0.25577 1.00000 1.00000
Sn4 Sn 0.50000 0.74423 0.00000 1.00000
Sn5 Sn 0.16689 0.75316 0.66622 1.00000
Sn6 Sn 0.16689 0.24684 0.66622 1.00000
Ce1 Ce 0.66718 0.50000 0.66563 1.00000
Ce2 Ce 0.33658 0.00000 0.32683 1.00000
Ce3 Ce 0.00000 0.50000 0.00000 1.00000
Ce4 Ce 0.66342 1.00000 0.67317 1.00000
Ce5 Ce 0.33282 0.50000 0.33437 1.00000
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