PrB14Ru
Alexandria ALEXAlex-ID: agm005753480 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC14_1_spg74
B2Ru PrB6 B
2023-07-18 14:06:37.146786
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005753480).
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 agm005753480
data_agm005753480
_cell_length_a 5.89757
_cell_length_b 7.47622
_cell_length_c 7.47621
_cell_angle_alpha 67.73667
_cell_angle_beta 66.77007
_cell_angle_gamma 66.77008
_cell_volume 268.44777
_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 0.37266 0.12734 1.00000
Pr2 Pr 0.75000 0.62734 0.87266 1.00000
B1 B 0.66560 0.36943 0.29937 1.00000
B2 B 0.33440 0.63057 0.70063 1.00000
B3 B 0.16560 0.79937 0.86943 1.00000
B4 B 0.83440 0.20063 0.13057 1.00000
B5 B 0.11993 0.24549 0.51464 1.00000
B6 B 0.88007 0.75451 0.48536 1.00000
B7 B 0.61993 0.01464 0.74549 1.00000
B8 B 0.38007 0.98536 0.25451 1.00000
B9 B 0.08216 0.08664 0.74904 1.00000
B10 B 0.91784 0.91336 0.25096 1.00000
B11 B 0.58216 0.24904 0.58664 1.00000
B12 B 0.41784 0.75096 0.41336 1.00000
B13 B 0.72210 0.59935 0.27943 1.00000
B14 B 0.60087 0.40065 0.72057 1.00000
B15 B 0.22210 0.77943 0.09935 1.00000
B16 B 0.10087 0.22057 0.90065 1.00000
B17 B 0.27790 0.40065 0.72057 1.00000
B18 B 0.39913 0.59935 0.27943 1.00000
B19 B 0.77790 0.22057 0.90065 1.00000
B20 B 0.89913 0.77943 0.09935 1.00000
B21 B 0.32340 0.97157 0.87371 1.00000
B22 B 0.16868 0.02843 0.12629 1.00000
B23 B 0.82340 0.37371 0.47157 1.00000
B24 B 0.66868 0.62629 0.52843 1.00000
B25 B 0.67660 0.02843 0.12629 1.00000
B26 B 0.83132 0.97157 0.87371 1.00000
B27 B 0.17660 0.62629 0.52843 1.00000
B28 B 0.33132 0.37371 0.47157 1.00000
Ru1 Ru 0.50000 0.00000 0.50000 1.00000
Ru2 Ru 0.00000 0.00000 0.50000 1.00000
