PmReB14
Alexandria ALEXAlex-ID: agm005755004 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC14_1_spg74
PmB6 ReB2 B
2023-07-18 14:14:42.662752
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005755004).
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 agm005755004
data_agm005755004
_cell_length_a 5.88007
_cell_length_b 7.44944
_cell_length_c 7.44944
_cell_angle_alpha 67.68644
_cell_angle_beta 66.75492
_cell_angle_gamma 66.75492
_cell_volume 265.61701
_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
Pm1 Pm 0.25000 0.37541 0.12459 1.00000
Pm2 Pm 0.75000 0.62459 0.87541 1.00000
Re1 Re 0.50000 0.00000 0.50000 1.00000
Re2 Re 0.00000 0.00000 0.50000 1.00000
B1 B 0.66678 0.37228 0.29415 1.00000
B2 B 0.33322 0.62772 0.70585 1.00000
B3 B 0.16678 0.79415 0.87228 1.00000
B4 B 0.83322 0.20585 0.12772 1.00000
B5 B 0.11979 0.24738 0.51304 1.00000
B6 B 0.88021 0.75262 0.48696 1.00000
B7 B 0.61979 0.01304 0.74738 1.00000
B8 B 0.38021 0.98696 0.25262 1.00000
B9 B 0.08421 0.08326 0.74833 1.00000
B10 B 0.91579 0.91674 0.25167 1.00000
B11 B 0.58421 0.24833 0.58326 1.00000
B12 B 0.41579 0.75167 0.41674 1.00000
B13 B 0.72463 0.59913 0.27735 1.00000
B14 B 0.60112 0.40087 0.72265 1.00000
B15 B 0.22463 0.77735 0.09913 1.00000
B16 B 0.10112 0.22265 0.90087 1.00000
B17 B 0.27537 0.40087 0.72265 1.00000
B18 B 0.39888 0.59913 0.27735 1.00000
B19 B 0.77537 0.22265 0.90087 1.00000
B20 B 0.89888 0.77735 0.09913 1.00000
B21 B 0.32429 0.97097 0.87232 1.00000
B22 B 0.16757 0.02903 0.12768 1.00000
B23 B 0.82429 0.37232 0.47097 1.00000
B24 B 0.66757 0.62768 0.52903 1.00000
B25 B 0.67571 0.02903 0.12768 1.00000
B26 B 0.83243 0.97097 0.87232 1.00000
B27 B 0.17571 0.62768 0.52903 1.00000
B28 B 0.33243 0.37232 0.47097 1.00000
