PrMnB14
Alexandria ALEXAlex-ID: agm005754814 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC14_1_spg74
MnB4 PrB6 B
2023-07-18 14:04:12.153253
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005754814).
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 agm005754814
data_agm005754814
_cell_length_a 5.86334
_cell_length_b 7.45041
_cell_length_c 7.45041
_cell_angle_alpha 68.08386
_cell_angle_beta 66.82809
_cell_angle_gamma 66.82810
_cell_volume 265.72797
_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 0.25000 0.37768 0.12232 1.00000
Pr2 Pr 0.75000 0.62232 0.87768 1.00000
Mn1 Mn 0.50000 0.00000 0.50000 1.00000
Mn2 Mn 0.00000 0.00000 0.50000 1.00000
B1 B 0.66574 0.36497 0.30356 1.00000
B2 B 0.33426 0.63503 0.69644 1.00000
B3 B 0.16574 0.80356 0.86497 1.00000
B4 B 0.83426 0.19644 0.13503 1.00000
B5 B 0.12659 0.23918 0.50765 1.00000
B6 B 0.87341 0.76082 0.49235 1.00000
B7 B 0.62659 0.00765 0.73918 1.00000
B8 B 0.37341 0.99235 0.26082 1.00000
B9 B 0.08319 0.08491 0.74871 1.00000
B10 B 0.91681 0.91509 0.25129 1.00000
B11 B 0.58319 0.24871 0.58491 1.00000
B12 B 0.41681 0.75129 0.41509 1.00000
B13 B 0.71979 0.60041 0.28062 1.00000
B14 B 0.60082 0.39959 0.71938 1.00000
B15 B 0.21979 0.78062 0.10041 1.00000
B16 B 0.10082 0.21938 0.89959 1.00000
B17 B 0.28021 0.39959 0.71938 1.00000
B18 B 0.39918 0.60041 0.28062 1.00000
B19 B 0.78021 0.21938 0.89959 1.00000
B20 B 0.89918 0.78062 0.10041 1.00000
B21 B 0.32518 0.97159 0.87536 1.00000
B22 B 0.17213 0.02841 0.12464 1.00000
B23 B 0.82518 0.37536 0.47159 1.00000
B24 B 0.67213 0.62464 0.52841 1.00000
B25 B 0.67482 0.02841 0.12464 1.00000
B26 B 0.82787 0.97159 0.87536 1.00000
B27 B 0.17482 0.62464 0.52841 1.00000
B28 B 0.32787 0.37536 0.47159 1.00000
