PmB14Ru
Alexandria ALEXAlex-ID: agm005753490 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC14_1_spg74
B2Ru PmB6 B
2023-07-18 14:06:31.869736
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005753490).
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 agm005753490
data_agm005753490
_cell_length_a 5.89109
_cell_length_b 7.44600
_cell_length_c 7.44600
_cell_angle_alpha 67.72695
_cell_angle_beta 66.69736
_cell_angle_gamma 66.69737
_cell_volume 265.74617
_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 0.37198 0.12802 1.00000
Pm2 Pm 0.75000 0.62802 0.87198 1.00000
B1 B 0.66615 0.36929 0.29841 1.00000
B2 B 0.33385 0.63071 0.70159 1.00000
B3 B 0.16615 0.79841 0.86929 1.00000
B4 B 0.83385 0.20159 0.13071 1.00000
B5 B 0.12039 0.24635 0.51288 1.00000
B6 B 0.87961 0.75365 0.48712 1.00000
B7 B 0.62039 0.01288 0.74635 1.00000
B8 B 0.37961 0.98712 0.25365 1.00000
B9 B 0.08202 0.08757 0.74839 1.00000
B10 B 0.91798 0.91243 0.25161 1.00000
B11 B 0.58202 0.24839 0.58757 1.00000
B12 B 0.41798 0.75161 0.41243 1.00000
B13 B 0.72313 0.59881 0.27790 1.00000
B14 B 0.59985 0.40119 0.72210 1.00000
B15 B 0.22313 0.77790 0.09881 1.00000
B16 B 0.09985 0.22210 0.90119 1.00000
B17 B 0.27687 0.40119 0.72210 1.00000
B18 B 0.40015 0.59881 0.27790 1.00000
B19 B 0.77687 0.22210 0.90119 1.00000
B20 B 0.90015 0.77790 0.09881 1.00000
B21 B 0.32368 0.97071 0.87362 1.00000
B22 B 0.16801 0.02929 0.12638 1.00000
B23 B 0.82368 0.37362 0.47071 1.00000
B24 B 0.66801 0.62638 0.52929 1.00000
B25 B 0.67632 0.02929 0.12638 1.00000
B26 B 0.83199 0.97071 0.87362 1.00000
B27 B 0.17632 0.62638 0.52929 1.00000
B28 B 0.33199 0.37362 0.47071 1.00000
Ru1 Ru 0.50000 0.00000 0.50000 1.00000
Ru2 Ru 0.00000 0.00000 0.50000 1.00000
