RbHPdPtSeS
Alexandria ALEXAlex-ID: agm006367125 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCDEF_542_spg1
Rb2Pd3Se4 Rb2H6Pt Rb2Pt3S4 HPd RbPt2Se3 RbPt2S3
2024-02-25 13:25:26
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006367125).
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 agm006367125
data_agm006367125
_cell_length_a 4.31792
_cell_length_b 6.38580
_cell_length_c 5.69442
_cell_angle_alpha 96.95667
_cell_angle_beta 90.35965
_cell_angle_gamma 98.60570
_cell_volume 154.05599
_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 0.73406 0.44547 0.23729 1.00000
H1 H 0.33610 0.91207 0.56152 1.00000
Pd1 Pd 0.65006 0.08536 0.70600 1.00000
Pt1 Pt 0.30382 0.69583 0.71287 1.00000
Se1 Se 0.19677 0.30501 0.72038 1.00000
S1 S 0.82386 0.78410 0.80688 1.00000
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