DyH7
Alexandria ALEXAlex-ID: agm079106485 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB7_392_spg1
DyH3 H2
2025-05-28 22:46:35
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm079106485).
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 agm079106485
data_agm079106485
_cell_length_a 3.96241
_cell_length_b 6.75830
_cell_length_c 9.97601
_cell_angle_alpha 80.60220
_cell_angle_beta 102.38678
_cell_angle_gamma 91.42800
_cell_volume 257.41443
_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 0.01828 0.22662 0.21938 1.00000
Dy2 Dy 0.41695 0.30307 0.89368 1.00000
Dy3 Dy 0.60920 0.07834 0.53662 1.00000
Dy4 Dy 0.11558 0.61756 0.48205 1.00000
H1 H 0.27010 0.51811 0.16743 1.00000
H2 H 0.86407 0.83574 0.74008 1.00000
H3 H 0.52775 0.17459 0.72896 1.00000
H4 H 0.65453 0.68020 0.27931 1.00000
H5 H 0.17576 0.89744 0.59542 1.00000
H6 H 0.64631 0.75453 0.52641 1.00000
H7 H 0.63724 0.42657 0.51018 1.00000
H8 H 0.73590 0.88128 0.77406 1.00000
H9 H 0.09738 0.16068 0.69958 1.00000
H10 H 0.96324 0.87023 0.06281 1.00000
H11 H 0.75374 0.44500 0.04040 1.00000
H12 H 0.23193 0.50081 0.69829 1.00000
H13 H 0.01891 0.51108 0.28095 1.00000
H14 H 0.39715 0.63986 0.91919 1.00000
H15 H 0.39463 0.96698 0.97140 1.00000
H16 H 0.95782 0.76856 0.10651 1.00000
H17 H 0.93507 0.18796 0.96697 1.00000
H18 H 0.80578 0.50237 0.78256 1.00000
H19 H 0.93062 0.18029 0.72881 1.00000
H20 H 0.84121 0.51730 0.86037 1.00000
H21 H 0.38632 0.96149 0.89435 1.00000
H22 H 0.56675 0.20233 0.32247 1.00000
H23 H 0.47189 0.14428 0.11049 1.00000
H24 H 0.31824 0.64657 0.84044 1.00000
H25 H 0.10658 0.23667 0.45608 1.00000
H26 H 0.16723 0.93178 0.36294 1.00000
H27 H 0.39307 0.46668 0.13041 1.00000
H28 H 0.59076 0.76503 0.31144 1.00000
