Ca3Sb4Pd7
Alexandria ALEXAlex-ID: agm005704245 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C7_31_spg12
CaSb2Pd3 Ca2(SbPd3)3 CaSbPd
2023-06-29 16:09:36.420660
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005704245).
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 agm005704245
data_agm005704245
_cell_length_a 4.43078
_cell_length_b 8.74055
_cell_length_c 8.58910
_cell_angle_alpha 67.77041
_cell_angle_beta 75.05269
_cell_angle_gamma 75.31756
_cell_volume 292.93886
_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 0.33660 0.17171 0.15510 1.00000
Ca2 Ca 0.66340 0.82829 0.84490 1.00000
Ca3 Ca 0.00000 0.50000 0.50000 1.00000
Sb1 Sb 0.67976 0.44534 0.19514 1.00000
Sb2 Sb 0.32024 0.55466 0.80486 1.00000
Sb3 Sb 0.88875 0.88551 0.33700 1.00000
Sb4 Sb 0.11125 0.11449 0.66300 1.00000
Pd1 Pd 0.30023 0.85711 0.54243 1.00000
Pd2 Pd 0.49763 0.24925 0.75548 1.00000
Pd3 Pd 0.86730 0.36813 0.89726 1.00000
Pd4 Pd 0.69977 0.14289 0.45757 1.00000
Pd5 Pd 0.13270 0.63187 0.10274 1.00000
Pd6 Pd 0.00000 0.00000 0.00000 1.00000
Pd7 Pd 0.50237 0.75075 0.24452 1.00000
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