Ca8SiPt2
Alexandria ALEXAlex-ID: agm006010671 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C8_133_spg12
Ca5Pt2 Ca2Si Ca
2023-09-30 02:31:15
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006010671).
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 agm006010671
data_agm006010671
_cell_length_a 5.87606
_cell_length_b 7.95911
_cell_length_c 7.95911
_cell_angle_alpha 111.60183
_cell_angle_beta 98.85610
_cell_angle_gamma 98.85611
_cell_volume 332.85359
_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 0.56751 0.33557 0.07053 1.00000
Ca2 Ca 0.56751 0.07053 0.33557 1.00000
Ca3 Ca 0.18731 0.36950 0.36950 1.00000
Ca4 Ca 0.99093 0.22772 0.77023 1.00000
Ca5 Ca 0.99093 0.77023 0.22772 1.00000
Ca6 Ca 0.80092 0.63754 0.63754 1.00000
Ca7 Ca 0.38973 0.93664 0.67060 1.00000
Ca8 Ca 0.38973 0.67060 0.93664 1.00000
Si1 Si 0.12168 0.00148 0.00148 1.00000
Pt1 Pt 0.49672 0.69275 0.32138 1.00000
Pt2 Pt 0.49672 0.32138 0.69275 1.00000
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