RbSb3Pt
Alexandria ALEXAlex-ID: agm003718892 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_1642_spg15
RbSb Sb2Pt
2022-04-16 22:44:58.865959
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003718892).
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 agm003718892
data_agm003718892
_cell_length_a 8.02902
_cell_length_b 9.41761
_cell_length_c 9.41761
_cell_angle_alpha 85.67932
_cell_angle_beta 70.93170
_cell_angle_gamma 70.93170
_cell_volume 635.70912
_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
Rb1 Rb 0.25000 0.07311 0.92689 1.00000
Rb2 Rb 0.75000 0.92689 0.07311 1.00000
Rb3 Rb 0.25000 0.45788 0.54212 1.00000
Rb4 Rb 0.75000 0.54212 0.45788 1.00000
Sb1 Sb 0.46214 0.62000 0.16319 1.00000
Sb2 Sb 0.03786 0.83681 0.38000 1.00000
Sb3 Sb 0.53786 0.38000 0.83681 1.00000
Sb4 Sb 0.96214 0.16319 0.62000 1.00000
Sb5 Sb 0.91331 0.43638 0.91231 1.00000
Sb6 Sb 0.58669 0.08769 0.56362 1.00000
Sb7 Sb 0.08669 0.56362 0.08769 1.00000
Sb8 Sb 0.41331 0.91231 0.43638 1.00000
Sb9 Sb 0.28740 0.69843 0.82360 1.00000
Sb10 Sb 0.21260 0.17640 0.30157 1.00000
Sb11 Sb 0.71260 0.30157 0.17640 1.00000
Sb12 Sb 0.78740 0.82360 0.69843 1.00000
Pt1 Pt 0.62047 0.64015 0.86779 1.00000
Pt2 Pt 0.87953 0.13221 0.35985 1.00000
Pt3 Pt 0.37953 0.35985 0.13221 1.00000
Pt4 Pt 0.12047 0.86779 0.64015 1.00000
