KDy(BH4)4
Alexandria ALEXAlex-ID: agm006754653 · Space group: I4_1/a (#88)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4D16_6_spg88
Dy(BH4)3 KBH4
2024-08-25 00:11:23.034944
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006754653).
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 agm006754653
data_agm006754653
_cell_length_a 9.96621
_cell_length_b 9.96621
_cell_length_c 9.96621
_cell_angle_alpha 135.20196
_cell_angle_beta 135.20196
_cell_angle_gamma 65.21655
_cell_volume 484.31719
_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
K1 K 0.00000 0.00000 0.00000 1.00000
K2 K 0.75000 0.25000 0.50000 1.00000
Dy1 Dy 0.50000 0.50000 0.00000 1.00000
Dy2 Dy 0.25000 0.75000 0.50000 1.00000
B1 B 0.68853 0.83138 0.36506 1.00000
B2 B 0.46633 0.32348 0.63494 1.00000
B3 B 0.28367 0.92652 0.86506 1.00000
B4 B 0.06147 0.41862 0.13494 1.00000
B5 B 0.67652 0.31147 0.14285 1.00000
B6 B 0.16862 0.53367 0.85715 1.00000
B7 B 0.58138 0.71633 0.64285 1.00000
B8 B 0.07348 0.93853 0.35715 1.00000
H1 H 0.78313 0.70705 0.30720 1.00000
H2 H 0.39984 0.47592 0.69280 1.00000
H3 H 0.35016 0.77408 0.80720 1.00000
H4 H 0.96687 0.54295 0.19280 1.00000
H5 H 0.52408 0.21687 0.92392 1.00000
H6 H 0.29295 0.60016 0.07608 1.00000
H7 H 0.45705 0.64984 0.42392 1.00000
H8 H 0.22592 0.03313 0.57608 1.00000
H9 H 0.54559 0.81807 0.18024 1.00000
H10 H 0.63783 0.36535 0.81976 1.00000
H11 H 0.11217 0.88465 0.68024 1.00000
H12 H 0.20441 0.43193 0.31976 1.00000
H13 H 0.63465 0.45441 0.27248 1.00000
H14 H 0.18193 0.36217 0.72752 1.00000
H15 H 0.56807 0.88783 0.77248 1.00000
H16 H 0.11535 0.79559 0.22752 1.00000
H17 H 0.62856 0.78697 0.40562 1.00000
H18 H 0.38135 0.22294 0.59438 1.00000
H19 H 0.36865 0.02706 0.90562 1.00000
H20 H 0.12144 0.46303 0.09438 1.00000
H21 H 0.77706 0.37144 0.15841 1.00000
H22 H 0.21303 0.61865 0.84159 1.00000
H23 H 0.53697 0.63135 0.65841 1.00000
H24 H 0.97294 0.87856 0.34159 1.00000
H25 H 0.78563 0.99032 0.54440 1.00000
H26 H 0.44592 0.24123 0.45560 1.00000
H27 H 0.30408 0.00877 0.04440 1.00000
H28 H 0.96437 0.25968 0.95560 1.00000
H29 H 0.75877 0.21437 0.20469 1.00000
H30 H 0.00968 0.55408 0.79531 1.00000
H31 H 0.74032 0.69592 0.70469 1.00000
H32 H 0.99123 0.03563 0.29531 1.00000
