PmB14Os
Alexandria ALEXAlex-ID: agm005755034 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC14_1_spg74
PmB6 B3Os2 B
2023-07-18 14:05:32.470056
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005755034).
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 agm005755034
data_agm005755034
_cell_length_a 5.87625
_cell_length_b 7.45621
_cell_length_c 7.45621
_cell_angle_alpha 67.84520
_cell_angle_beta 66.79321
_cell_angle_gamma 66.79322
_cell_volume 266.27742
_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 0.37111 0.12889 1.00000
Pm2 Pm 0.75000 0.62889 0.87111 1.00000
B1 B 0.66623 0.37413 0.29341 1.00000
B2 B 0.33377 0.62587 0.70659 1.00000
B3 B 0.16623 0.79341 0.87413 1.00000
B4 B 0.83377 0.20659 0.12587 1.00000
B5 B 0.11959 0.24607 0.51475 1.00000
B6 B 0.88041 0.75393 0.48525 1.00000
B7 B 0.61959 0.01475 0.74607 1.00000
B8 B 0.38041 0.98525 0.25393 1.00000
B9 B 0.08297 0.08530 0.74876 1.00000
B10 B 0.91703 0.91470 0.25124 1.00000
B11 B 0.58297 0.24876 0.58530 1.00000
B12 B 0.41703 0.75124 0.41470 1.00000
B13 B 0.72428 0.59938 0.27771 1.00000
B14 B 0.60137 0.40062 0.72229 1.00000
B15 B 0.22428 0.77771 0.09938 1.00000
B16 B 0.10137 0.22229 0.90062 1.00000
B17 B 0.27572 0.40062 0.72229 1.00000
B18 B 0.39863 0.59938 0.27771 1.00000
B19 B 0.77572 0.22229 0.90062 1.00000
B20 B 0.89863 0.77771 0.09938 1.00000
B21 B 0.32397 0.97004 0.87310 1.00000
B22 B 0.16710 0.02996 0.12690 1.00000
B23 B 0.82397 0.37310 0.47004 1.00000
B24 B 0.66710 0.62690 0.52996 1.00000
B25 B 0.67603 0.02996 0.12690 1.00000
B26 B 0.83290 0.97004 0.87310 1.00000
B27 B 0.17603 0.62690 0.52996 1.00000
B28 B 0.33290 0.37310 0.47004 1.00000
Os1 Os 0.50000 0.00000 0.50000 1.00000
Os2 Os 0.00000 0.00000 0.50000 1.00000
