MnAg2Cl5
Alexandria ALEXAlex-ID: agm005867589 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C5_1053_spg1
MnCl3 AgCl
2023-08-23 21:03:44
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005867589).
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 agm005867589
data_agm005867589
_cell_length_a 6.27849
_cell_length_b 6.64409
_cell_length_c 6.67301
_cell_angle_alpha 81.09234
_cell_angle_beta 62.08630
_cell_angle_gamma 61.62132
_cell_volume 215.59562
_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
Mn1 Mn 0.99477 0.98189 0.00425 1.00000
Ag1 Ag 0.60847 0.19100 0.65024 1.00000
Ag2 Ag 0.73024 0.65066 0.08230 1.00000
Cl1 Cl 0.63843 0.31319 0.24570 1.00000
Cl2 Cl 0.90981 0.78249 0.31689 1.00000
Cl3 Cl 0.99144 0.19623 0.70454 1.00000
Cl4 Cl 0.19797 0.65552 0.77497 1.00000
Cl5 Cl 0.37487 0.00601 0.99812 1.00000
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