NaMn(PbBr3)2
Alexandria ALEXAlex-ID: agm004955893 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_892_spg1
MnBr2 NaPbBr3 Mn PbBr2
2023-01-14 18:20:48.744350
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004955893).
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 agm004955893
data_agm004955893
_cell_length_a 7.45848
_cell_length_b 7.46183
_cell_length_c 8.60364
_cell_angle_alpha 70.32955
_cell_angle_beta 57.37956
_cell_angle_gamma 61.42614
_cell_volume 352.16083
_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
Na1 Na 0.90459 0.75618 0.55264 1.00000
Mn1 Mn 0.32501 0.32799 0.01159 1.00000
Pb1 Pb 0.52583 0.49743 0.45388 1.00000
Pb2 Pb 0.00357 0.01362 0.96772 1.00000
Br1 Br 0.51883 0.25730 0.22394 1.00000
Br2 Br 0.13947 0.04940 0.22001 1.00000
Br3 Br 0.94720 0.62974 0.23016 1.00000
Br4 Br 0.47068 0.65020 0.77459 1.00000
Br5 Br 0.71241 0.06978 0.78811 1.00000
Br6 Br 0.11401 0.40996 0.79255 1.00000
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