DyB2H6N
Alexandria ALEXAlex-ID: agm070996344 · Space group: P2_12_12_1 (#19)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_3289_spg19
DyH3 Dy(BH4)3 BN
2025-05-28 02:09:06
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm070996344).
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 agm070996344
data_agm070996344
_cell_length_a 5.99204
_cell_length_b 7.58042
_cell_length_c 7.89798
_cell_angle_alpha 90.00027
_cell_angle_beta 89.98358
_cell_angle_gamma 89.98895
_cell_volume 358.74340
_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
Dy1 Dy 0.11734 0.03808 0.89472 1.00000
Dy2 Dy 0.88259 0.46191 0.39476 1.00000
Dy3 Dy 0.61737 0.96193 0.60539 1.00000
Dy4 Dy 0.38273 0.53808 0.10542 1.00000
B1 B 0.43305 0.30590 0.39248 1.00000
B2 B 0.56685 0.19418 0.89257 1.00000
B3 B 0.93315 0.69411 0.10742 1.00000
B4 B 0.06694 0.80588 0.60746 1.00000
B5 B 0.89058 0.24832 0.67672 1.00000
B6 B 0.10940 0.25162 0.17670 1.00000
B7 B 0.60951 0.74839 0.32342 1.00000
B8 B 0.39055 0.75154 0.82331 1.00000
H1 H 0.84731 0.40890 0.68075 1.00000
H2 H 0.15258 0.09101 0.18068 1.00000
H3 H 0.34734 0.59095 0.81937 1.00000
H4 H 0.65278 0.90895 0.31943 1.00000
H5 H 0.59856 0.76731 0.82550 1.00000
H6 H 0.90140 0.26748 0.17445 1.00000
H7 H 0.40150 0.73255 0.32572 1.00000
H8 H 0.09859 0.23246 0.67439 1.00000
H9 H 0.65727 0.69797 0.47681 1.00000
H10 H 0.15737 0.30197 0.02332 1.00000
H11 H 0.84277 0.19797 0.52331 1.00000
H12 H 0.34272 0.80196 0.97670 1.00000
H13 H 0.59287 0.29687 0.28645 1.00000
H14 H 0.40704 0.20346 0.78663 1.00000
H15 H 0.90707 0.79636 0.71336 1.00000
H16 H 0.09302 0.70370 0.21325 1.00000
H17 H 0.00635 0.90087 0.48890 1.00000
H18 H 0.50632 0.09941 0.01132 1.00000
H19 H 0.99374 0.59915 0.98880 1.00000
H20 H 0.49348 0.40064 0.51127 1.00000
H21 H 0.91693 0.85012 0.05751 1.00000
H22 H 0.58279 0.35032 0.94211 1.00000
H23 H 0.41738 0.14970 0.44189 1.00000
H24 H 0.08308 0.64989 0.55753 1.00000
N1 N 0.21853 0.36500 0.30723 1.00000
N2 N 0.78134 0.13497 0.80725 1.00000
N3 N 0.71874 0.63497 0.19290 1.00000
N4 N 0.28137 0.86499 0.69284 1.00000
