Pr7MnBr12
Alexandria ALEXAlex-ID: agm005774422 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB7C12_6_spg148
Pr Mn PrBr2
2023-07-16 02:17:05.269481
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005774422).
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 agm005774422
data_agm005774422
_cell_length_a 10.88243
_cell_length_b 9.60487
_cell_length_c 9.60487
_cell_angle_alpha 106.62147
_cell_angle_beta 112.18946
_cell_angle_gamma 112.18947
_cell_volume 745.42674
_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
Pr1 Pr 0.10034 0.79537 0.08102 1.00000
Pr2 Pr 0.98068 0.08102 0.28565 1.00000
Pr3 Pr 0.69503 0.71435 0.79537 1.00000
Pr4 Pr 0.50000 0.00000 0.00000 1.00000
Pr5 Pr 0.30497 0.28565 0.20463 1.00000
Pr6 Pr 0.01932 0.91898 0.71435 1.00000
Pr7 Pr 0.89966 0.20463 0.91898 1.00000
Mn1 Mn 0.00000 0.00000 0.00000 1.00000
Br1 Br 0.21951 0.53681 0.14644 1.00000
Br2 Br 0.92693 0.14644 0.60963 1.00000
Br3 Br 0.62074 0.78755 0.08077 1.00000
Br4 Br 0.46004 0.08077 0.29323 1.00000
Br5 Br 0.31730 0.39037 0.53681 1.00000
Br6 Br 0.16681 0.70677 0.78755 1.00000
Br7 Br 0.83319 0.29323 0.21245 1.00000
Br8 Br 0.68270 0.60963 0.46319 1.00000
Br9 Br 0.53996 0.91923 0.70677 1.00000
Br10 Br 0.37926 0.21245 0.91923 1.00000
Br11 Br 0.07307 0.85356 0.39037 1.00000
Br12 Br 0.78049 0.46319 0.85356 1.00000
