Dy2(H3W)3
Alexandria ALEXAlex-ID: agm006197848 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C9_506_spg12
DyH3 H2 W
2024-02-01 21:43:56
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006197848).
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
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# CIF generated by HEAS from Alexandria entry agm006197848
data_agm006197848
_cell_length_a 4.80150
_cell_length_b 4.82016
_cell_length_c 6.65458
_cell_angle_alpha 91.57488
_cell_angle_beta 89.34441
_cell_angle_gamma 121.58248
_cell_volume 131.15203
_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 0.35461 0.65894 0.65941 1.00000
Dy2 Dy 0.67978 0.33106 0.34516 1.00000
W1 W 0.35131 0.65706 0.14635 1.00000
W2 W 0.98328 0.99000 0.00794 1.00000
W3 W 0.67417 0.32327 0.84942 1.00000
H1 H 0.75738 0.85608 0.27104 1.00000
H2 H 0.24245 0.80955 0.36854 1.00000
H3 H 0.40826 0.05691 0.06948 1.00000
H4 H 0.84243 0.18374 0.64759 1.00000
H5 H 0.84467 0.64473 0.66135 1.00000
H6 H 0.21624 0.35387 0.34219 1.00000
H7 H 0.37855 0.15868 0.64266 1.00000
H8 H 0.94074 0.58856 0.07646 1.00000
H9 H 0.32613 0.38754 0.91241 1.00000
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