Rb(Ba2Pt)4
Alexandria ALEXAlex-ID: agm097742479 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_1119_spg8
Ba2Pt Rb
2025-06-18 06:47:30
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097742479).
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 agm097742479
data_agm097742479
_cell_length_a 4.63807
_cell_length_b 12.45544
_cell_length_c 12.21024
_cell_angle_alpha 65.14257
_cell_angle_beta 78.99921
_cell_angle_gamma 89.96970
_cell_volume 625.74684
_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 0.07653 0.02747 0.99662 1.00000
Ba1 Ba 0.40442 0.01770 0.34735 1.00000
Ba2 Ba 0.56066 0.69485 0.03070 1.00000
Ba3 Ba 0.22918 0.68974 0.69612 1.00000
Ba4 Ba 0.26581 0.36872 0.62435 1.00000
Ba5 Ba 0.88771 0.69029 0.38185 1.00000
Ba6 Ba 0.93757 0.36966 0.27765 1.00000
Ba7 Ba 0.60054 0.38641 0.95089 1.00000
Ba8 Ba 0.73747 0.99666 0.67814 1.00000
Pt1 Pt 0.15032 0.84515 0.85220 1.00000
Pt2 Pt 0.07509 0.53261 0.00155 1.00000
Pt3 Pt 0.74902 0.51678 0.65814 1.00000
Pt4 Pt 0.82569 0.86397 0.50444 1.00000
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