Ca4Si9Pt7
Alexandria ALEXAlex-ID: agm008596186 · Space group: C2 (#5)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A4B7C9_4_spg5
Ca2Si5Pt3 Ca(SiPt)2
2024-04-10 18:31:07.293600
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008596186).
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 agm008596186
data_agm008596186
_cell_length_a 8.32930
_cell_length_b 8.32930
_cell_length_c 5.89783
_cell_angle_alpha 69.98617
_cell_angle_beta 69.98617
_cell_angle_gamma 93.32378
_cell_volume 354.06988
_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 0.11303 0.37482 0.50632 1.00000
Ca2 Ca 0.89676 0.64131 0.98536 1.00000
Ca3 Ca 0.62518 0.88697 0.49368 1.00000
Ca4 Ca 0.35869 0.10324 0.01464 1.00000
Si1 Si 0.77241 0.53955 0.59351 1.00000
Si2 Si 0.25264 0.47012 0.88031 1.00000
Si3 Si 0.46045 0.22759 0.40649 1.00000
Si4 Si 0.52988 0.74736 0.11969 1.00000
Si5 Si 0.99333 0.00667 0.00000 1.00000
Si6 Si 0.98232 0.01768 0.50000 1.00000
Si7 Si 0.73047 0.26953 0.00000 1.00000
Si8 Si 0.73410 0.26590 0.50000 1.00000
Si9 Si 0.26833 0.73167 0.50000 1.00000
Pt1 Pt 0.01523 0.77277 0.36945 1.00000
Pt2 Pt 0.98106 0.26251 0.12439 1.00000
Pt3 Pt 0.22723 0.98477 0.63055 1.00000
Pt4 Pt 0.73749 0.01894 0.87561 1.00000
Pt5 Pt 0.51492 0.48508 0.50000 1.00000
Pt6 Pt 0.51962 0.48038 0.00000 1.00000
Pt7 Pt 0.28725 0.71275 0.00000 1.00000
