Ca3Sn3Ge2
Alexandria ALEXAlex-ID: agm010083113 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C3_10_spg63
CaSn Ca2SnGe2 CaSn3
2024-03-10 04:55:11.196726
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010083113).
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 agm010083113
data_agm010083113
_cell_length_a 6.22358
_cell_length_b 6.22358
_cell_length_c 15.81695
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 135.38362
_cell_volume 430.28942
_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 0.04353 0.95647 0.88416 1.00000
Ca2 Ca 0.95647 0.04353 0.38416 1.00000
Ca3 Ca 0.04353 0.95647 0.61584 1.00000
Ca4 Ca 0.95647 0.04353 0.11584 1.00000
Ca5 Ca 0.31230 0.68770 0.75000 1.00000
Ca6 Ca 0.68770 0.31230 0.25000 1.00000
Sn1 Sn 0.37056 0.62944 0.96674 1.00000
Sn2 Sn 0.62944 0.37056 0.46674 1.00000
Sn3 Sn 0.37056 0.62944 0.53326 1.00000
Sn4 Sn 0.62944 0.37056 0.03326 1.00000
Sn5 Sn 0.59013 0.40987 0.75000 1.00000
Sn6 Sn 0.40987 0.59013 0.25000 1.00000
Ge1 Ge 0.23979 0.76021 0.38159 1.00000
Ge2 Ge 0.76021 0.23979 0.88159 1.00000
Ge3 Ge 0.23979 0.76021 0.11841 1.00000
Ge4 Ge 0.76021 0.23979 0.61841 1.00000
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