RbLa(BH4)4
Alexandria ALEXAlex-ID: agm006753129 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4D16_13_spg11
La(BH4)3 RbBH4
2024-08-26 05:00:50.799456
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006753129).
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 agm006753129
data_agm006753129
_cell_length_a 9.24489
_cell_length_b 7.08270
_cell_length_c 7.41289
_cell_angle_alpha 91.09473
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 485.29848
_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
Rb1 Rb 0.50000 0.00000 0.00000 1.00000
Rb2 Rb 0.00000 0.00000 0.00000 1.00000
La1 La 0.75000 0.51297 0.50087 1.00000
La2 La 0.25000 0.48703 0.49913 1.00000
B1 B 0.99404 0.63906 0.27884 1.00000
B2 B 0.00596 0.36094 0.72116 1.00000
B3 B 0.50596 0.63906 0.27884 1.00000
B4 B 0.49404 0.36094 0.72116 1.00000
B5 B 0.75000 0.19732 0.29708 1.00000
B6 B 0.25000 0.18020 0.28213 1.00000
B7 B 0.25000 0.80268 0.70292 1.00000
B8 B 0.75000 0.81980 0.71787 1.00000
H1 H 0.94634 0.61976 0.12714 1.00000
H2 H 0.07783 0.24924 0.62853 1.00000
H3 H 0.55366 0.61976 0.12714 1.00000
H4 H 0.42217 0.24924 0.62853 1.00000
H5 H 0.05366 0.38024 0.87286 1.00000
H6 H 0.92217 0.75076 0.37147 1.00000
H7 H 0.44634 0.38024 0.87286 1.00000
H8 H 0.57783 0.75076 0.37147 1.00000
H9 H 0.85767 0.20605 0.39524 1.00000
H10 H 0.14289 0.27800 0.25118 1.00000
H11 H 0.64233 0.20605 0.39524 1.00000
H12 H 0.35711 0.27800 0.25118 1.00000
H13 H 0.14233 0.79395 0.60476 1.00000
H14 H 0.85711 0.72200 0.74882 1.00000
H15 H 0.35767 0.79395 0.60476 1.00000
H16 H 0.64289 0.72200 0.74882 1.00000
H17 H 0.11957 0.69758 0.27613 1.00000
H18 H 0.88043 0.30242 0.72387 1.00000
H19 H 0.38043 0.69758 0.27613 1.00000
H20 H 0.61957 0.30242 0.72387 1.00000
H21 H 0.99271 0.48127 0.34777 1.00000
H22 H 0.00729 0.51873 0.65223 1.00000
H23 H 0.50729 0.48127 0.34777 1.00000
H24 H 0.49271 0.51873 0.65223 1.00000
H25 H 0.75000 0.05133 0.20896 1.00000
H26 H 0.25000 0.03372 0.19534 1.00000
H27 H 0.25000 0.94867 0.79104 1.00000
H28 H 0.75000 0.96628 0.80466 1.00000
H29 H 0.75000 0.33885 0.20183 1.00000
H30 H 0.25000 0.14436 0.44398 1.00000
H31 H 0.25000 0.66115 0.79817 1.00000
H32 H 0.75000 0.85564 0.55602 1.00000
