RbMnPdCl6
Alexandria ALEXAlex-ID: agm005099481 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD6_254_spg1
Rb2MnCl6 MnCl2 PdCl2
2022-08-14 09:16:27.008402
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005099481).
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
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# CIF generated by HEAS from Alexandria entry agm005099481
data_agm005099481
_cell_length_a 7.00528
_cell_length_b 7.98874
_cell_length_c 7.47687
_cell_angle_alpha 104.39248
_cell_angle_beta 89.62954
_cell_angle_gamma 47.09188
_cell_volume 287.61263
_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 0.01548 0.00052 0.99811 1.00000
Mn1 Mn 0.30420 0.29542 0.56741 1.00000
Pd1 Pd 0.70258 0.66041 0.43673 1.00000
Cl1 Cl 0.15731 0.32071 0.28612 1.00000
Cl2 Cl 0.26141 0.01775 0.60070 1.00000
Cl3 Cl 0.40134 0.36566 0.84111 1.00000
Cl4 Cl 0.85633 0.66338 0.71423 1.00000
Cl5 Cl 0.58290 0.61330 0.15661 1.00000
Cl6 Cl 0.71821 0.06288 0.39888 1.00000
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