Sm(BH4)2
Alexandria ALEXAlex-ID: agm005284206 · Space group: Pbcn (#60)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C8_4047_spg60
SmB4 SmH3 Sm(BH4)3
2024-10-05 09:26:30
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005284206).
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 agm005284206
data_agm005284206
_cell_length_a 7.40808
_cell_length_b 6.82273
_cell_length_c 8.21218
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 415.07071
_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
Sm1 Sm 0.00000 0.25000 0.10052 1.00000
Sm2 Sm 0.50000 0.75000 0.39948 1.00000
Sm3 Sm 0.00000 0.75000 0.89948 1.00000
Sm4 Sm 0.50000 0.25000 0.60052 1.00000
B1 B 0.73262 0.08827 0.36564 1.00000
B2 B 0.76738 0.58827 0.13436 1.00000
B3 B 0.23262 0.91173 0.13436 1.00000
B4 B 0.26738 0.41173 0.36564 1.00000
B5 B 0.26738 0.91173 0.63436 1.00000
B6 B 0.23262 0.41173 0.86564 1.00000
B7 B 0.76738 0.08827 0.86564 1.00000
B8 B 0.73262 0.58827 0.63436 1.00000
H1 H 0.65306 0.24593 0.35642 1.00000
H2 H 0.84694 0.74593 0.14358 1.00000
H3 H 0.15306 0.75407 0.14358 1.00000
H4 H 0.34694 0.25407 0.35642 1.00000
H5 H 0.34694 0.75407 0.64358 1.00000
H6 H 0.15306 0.25407 0.85642 1.00000
H7 H 0.84694 0.24593 0.85642 1.00000
H8 H 0.65306 0.74593 0.64358 1.00000
H9 H 0.67767 0.97952 0.25758 1.00000
H10 H 0.82233 0.47952 0.24242 1.00000
H11 H 0.17767 0.02048 0.24242 1.00000
H12 H 0.32233 0.52048 0.25758 1.00000
H13 H 0.32233 0.02048 0.74242 1.00000
H14 H 0.17767 0.52048 0.75758 1.00000
H15 H 0.82233 0.97952 0.75758 1.00000
H16 H 0.67767 0.47952 0.74242 1.00000
H17 H 0.89636 0.11287 0.35131 1.00000
H18 H 0.60364 0.61287 0.14869 1.00000
H19 H 0.39636 0.88713 0.14869 1.00000
H20 H 0.10364 0.38713 0.35131 1.00000
H21 H 0.10364 0.88713 0.64869 1.00000
H22 H 0.39636 0.38713 0.85131 1.00000
H23 H 0.60364 0.11287 0.85131 1.00000
H24 H 0.89636 0.61287 0.64869 1.00000
H25 H 0.71327 0.00917 0.50100 1.00000
H26 H 0.78673 0.50917 0.99900 1.00000
H27 H 0.21327 0.99083 0.99900 1.00000
H28 H 0.28673 0.49083 0.50100 1.00000
H29 H 0.28673 0.99083 0.49900 1.00000
H30 H 0.21327 0.49083 0.00100 1.00000
H31 H 0.78673 0.00917 0.00100 1.00000
H32 H 0.71327 0.50917 0.49900 1.00000
