Nd(BH4)3
Alexandria ALEXAlex-ID: agm076080652 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C12_1043_spg8
Nd(BH4)3
2025-05-28 23:38:35
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm076080652).
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 agm076080652
data_agm076080652
_cell_length_a 6.59203
_cell_length_b 6.59203
_cell_length_c 7.13269
_cell_angle_alpha 69.11030
_cell_angle_beta 110.88970
_cell_angle_gamma 52.17483
_cell_volume 143.28076
_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
Nd1 Nd 0.14794 0.85206 0.99320 1.00000
B1 B 0.81511 0.48841 0.50235 1.00000
B2 B 0.51159 0.18489 0.50235 1.00000
B3 B 0.64175 0.35825 0.99434 1.00000
H1 H 0.56558 0.61762 0.48709 1.00000
H2 H 0.65672 0.77478 0.27657 1.00000
H3 H 0.91815 0.26208 0.49514 1.00000
H4 H 0.11528 0.28730 0.75816 1.00000
H5 H 0.38238 0.43442 0.48709 1.00000
H6 H 0.73792 0.08185 0.49514 1.00000
H7 H 0.22522 0.34328 0.27657 1.00000
H8 H 0.71270 0.88472 0.75816 1.00000
H9 H 0.50751 0.49249 0.74743 1.00000
H10 H 0.44211 0.38238 0.99559 1.00000
H11 H 0.61762 0.55789 0.99559 1.00000
H12 H 0.00065 0.99935 0.24027 1.00000
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