Dy3P2H
Alexandria ALEXAlex-ID: agm006426166 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_7_spg15
Dy6P5 Dy DyH2
2024-03-01 22:53:19.246895
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006426166).
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 agm006426166
data_agm006426166
_cell_length_a 6.71338
_cell_length_b 6.71338
_cell_length_c 7.91780
_cell_angle_alpha 72.86262
_cell_angle_beta 72.86262
_cell_angle_gamma 48.41225
_cell_volume 252.59100
_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 0.48347 0.51653 0.75000 1.00000
Dy2 Dy 0.51653 0.48347 0.25000 1.00000
Dy3 Dy 0.82794 0.82860 0.58599 1.00000
Dy4 Dy 0.17140 0.17206 0.91401 1.00000
Dy5 Dy 0.82860 0.82794 0.08599 1.00000
Dy6 Dy 0.17206 0.17140 0.41401 1.00000
P1 P 0.33403 0.33329 0.08318 1.00000
P2 P 0.33329 0.33403 0.58318 1.00000
P3 P 0.66671 0.66597 0.41682 1.00000
P4 P 0.66597 0.66671 0.91682 1.00000
H1 H 0.97344 0.02656 0.25000 1.00000
H2 H 0.02656 0.97344 0.75000 1.00000
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