U(BH4)4
Alexandria ALEXAlex-ID: agm006484366 · Space group: P4_2/nmc (#137)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C16_4_spg137
U(BH4)4
2024-08-26 03:29:52.224906
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006484366).
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 agm006484366
data_agm006484366
_cell_length_a 8.57008
_cell_length_b 8.57008
_cell_length_c 6.07324
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 446.05712
_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 0.00000 0.00000 0.00000 1.00000
U2 U 0.50000 0.50000 0.50000 1.00000
B1 B 0.23405 0.00000 0.23774 1.00000
B2 B 0.50000 0.26595 0.73774 1.00000
B3 B 0.50000 0.73405 0.73774 1.00000
B4 B 0.76595 0.00000 0.23774 1.00000
B5 B 0.26595 0.50000 0.26226 1.00000
B6 B 0.73405 0.50000 0.26226 1.00000
B7 B 0.00000 0.23405 0.76226 1.00000
B8 B 0.00000 0.76595 0.76226 1.00000
H1 H 0.34722 0.00000 0.35293 1.00000
H2 H 0.50000 0.15278 0.85293 1.00000
H3 H 0.50000 0.84722 0.85293 1.00000
H4 H 0.65278 0.00000 0.35293 1.00000
H5 H 0.15278 0.50000 0.14707 1.00000
H6 H 0.84722 0.50000 0.14707 1.00000
H7 H 0.00000 0.34722 0.64707 1.00000
H8 H 0.00000 0.65278 0.64707 1.00000
H9 H 0.26388 0.00000 0.03508 1.00000
H10 H 0.50000 0.23612 0.53508 1.00000
H11 H 0.50000 0.76388 0.53508 1.00000
H12 H 0.73612 0.00000 0.03508 1.00000
H13 H 0.23612 0.50000 0.46492 1.00000
H14 H 0.76388 0.50000 0.46492 1.00000
H15 H 0.00000 0.26388 0.96492 1.00000
H16 H 0.00000 0.73612 0.96492 1.00000
H17 H 0.14619 0.11593 0.26519 1.00000
H18 H 0.61593 0.35381 0.76519 1.00000
H19 H 0.38407 0.64619 0.76519 1.00000
H20 H 0.85381 0.88407 0.26519 1.00000
H21 H 0.35381 0.61593 0.23481 1.00000
H22 H 0.64619 0.38407 0.23481 1.00000
H23 H 0.11593 0.14619 0.73481 1.00000
H24 H 0.88407 0.85381 0.73481 1.00000
H25 H 0.35381 0.38407 0.23481 1.00000
H26 H 0.88407 0.14619 0.73481 1.00000
H27 H 0.11593 0.85381 0.73481 1.00000
H28 H 0.64619 0.61593 0.23481 1.00000
H29 H 0.14619 0.88407 0.26519 1.00000
H30 H 0.85381 0.11593 0.26519 1.00000
H31 H 0.38407 0.35381 0.76519 1.00000
H32 H 0.61593 0.64619 0.76519 1.00000
