Ca2Sn3Pd
Alexandria ALEXAlex-ID: agm005809854 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_139_spg8
CaSn2Pd CaSn
2023-08-07 06:36:46.261781
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005809854).
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 agm005809854
data_agm005809854
_cell_length_a 4.90783
_cell_length_b 6.05381
_cell_length_c 6.22389
_cell_angle_alpha 77.38515
_cell_angle_beta 66.77930
_cell_angle_gamma 66.08688
_cell_volume 154.97341
_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 0.54082 0.20556 0.71280 1.00000
Ca2 Ca 0.43911 0.81126 0.31051 1.00000
Sn1 Sn 0.86244 0.61182 0.66330 1.00000
Sn2 Sn 0.81902 0.24175 0.12020 1.00000
Sn3 Sn 0.16118 0.75408 0.92355 1.00000
Pd1 Pd 0.17743 0.37551 0.26963 1.00000
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