MnAgIBr2
Alexandria ALEXAlex-ID: agm005014464 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD2_1912_spg11
AgI MnBr2
2022-07-04 15:34:06.017927
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005014464).
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 agm005014464
data_agm005014464
_cell_length_a 4.46058
_cell_length_b 8.15656
_cell_length_c 12.15605
_cell_angle_alpha 121.35263
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 377.69327
_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 0.25000 0.92781 0.83142 1.00000
Mn2 Mn 0.75000 0.07219 0.16858 1.00000
Ag1 Ag 0.75000 0.39306 0.51898 1.00000
Ag2 Ag 0.25000 0.60694 0.48102 1.00000
I1 I 0.75000 0.47693 0.30464 1.00000
I2 I 0.25000 0.52307 0.69536 1.00000
Br1 Br 0.75000 0.11030 0.94114 1.00000
Br2 Br 0.25000 0.88970 0.05886 1.00000
Br3 Br 0.25000 0.98528 0.65006 1.00000
Br4 Br 0.75000 0.01472 0.34994 1.00000
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