UB14Mo
Alexandria ALEXAlex-ID: agm005754423 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC14_1_spg74
UB12 B2Mo
2023-07-18 14:07:49.700012
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005754423).
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 agm005754423
data_agm005754423
_cell_length_a 5.86192
_cell_length_b 7.42676
_cell_length_c 7.42676
_cell_angle_alpha 66.45679
_cell_angle_beta 66.75593
_cell_angle_gamma 66.75594
_cell_volume 261.34843
_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
U1 U 0.25000 0.37629 0.12371 1.00000
U2 U 0.75000 0.62371 0.87629 1.00000
B1 B 0.66838 0.36215 0.30109 1.00000
B2 B 0.33162 0.63785 0.69891 1.00000
B3 B 0.16838 0.80109 0.86215 1.00000
B4 B 0.83162 0.19891 0.13785 1.00000
B5 B 0.12110 0.25307 0.50473 1.00000
B6 B 0.87890 0.74693 0.49527 1.00000
B7 B 0.62110 0.00473 0.75307 1.00000
B8 B 0.37890 0.99527 0.24693 1.00000
B9 B 0.07947 0.09432 0.74675 1.00000
B10 B 0.92053 0.90568 0.25325 1.00000
B11 B 0.57947 0.24675 0.59432 1.00000
B12 B 0.42053 0.75325 0.40568 1.00000
B13 B 0.72729 0.59572 0.27219 1.00000
B14 B 0.59520 0.40428 0.72781 1.00000
B15 B 0.22729 0.77219 0.09572 1.00000
B16 B 0.09520 0.22781 0.90428 1.00000
B17 B 0.27271 0.40428 0.72781 1.00000
B18 B 0.40480 0.59572 0.27219 1.00000
B19 B 0.77271 0.22781 0.90428 1.00000
B20 B 0.90480 0.77219 0.09572 1.00000
B21 B 0.32209 0.97292 0.87390 1.00000
B22 B 0.16891 0.02708 0.12610 1.00000
B23 B 0.82209 0.37390 0.47292 1.00000
B24 B 0.66891 0.62610 0.52708 1.00000
B25 B 0.67791 0.02708 0.12610 1.00000
B26 B 0.83109 0.97292 0.87390 1.00000
B27 B 0.17791 0.62610 0.52708 1.00000
B28 B 0.33109 0.37390 0.47292 1.00000
Mo1 Mo 0.50000 0.00000 0.50000 1.00000
Mo2 Mo 0.00000 0.00000 0.50000 1.00000
