Dy(PH2)3
Alexandria ALEXAlex-ID: agm070906440 · Space group: P4_332 (#212)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C6_2645_spg212
PH3 DyP
2024-08-06 21:42:02.737357
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm070906440).
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 agm070906440
data_agm070906440
_cell_length_a 9.33389
_cell_length_b 9.33389
_cell_length_c 9.33389
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 813.18166
_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 0.62500 0.62500 0.62500 1.00000
Dy2 Dy 0.87500 0.37500 0.12500 1.00000
Dy3 Dy 0.37500 0.12500 0.87500 1.00000
Dy4 Dy 0.12500 0.87500 0.37500 1.00000
P1 P 0.62500 0.20590 0.04410 1.00000
P2 P 0.87500 0.79410 0.54410 1.00000
P3 P 0.37500 0.70590 0.45590 1.00000
P4 P 0.12500 0.29410 0.95590 1.00000
P5 P 0.04410 0.62500 0.20590 1.00000
P6 P 0.54410 0.87500 0.79410 1.00000
P7 P 0.45590 0.37500 0.70590 1.00000
P8 P 0.95590 0.12500 0.29410 1.00000
P9 P 0.20590 0.04410 0.62500 1.00000
P10 P 0.79410 0.54410 0.87500 1.00000
P11 P 0.70590 0.45590 0.37500 1.00000
P12 P 0.29410 0.95590 0.12500 1.00000
H1 H 0.19699 0.18436 0.56422 1.00000
H2 H 0.30301 0.81564 0.06422 1.00000
H3 H 0.80301 0.68436 0.93578 1.00000
H4 H 0.69699 0.31564 0.43578 1.00000
H5 H 0.56422 0.19699 0.18436 1.00000
H6 H 0.06422 0.30301 0.81564 1.00000
H7 H 0.93578 0.80301 0.68436 1.00000
H8 H 0.43578 0.69699 0.31564 1.00000
H9 H 0.18436 0.56422 0.19699 1.00000
H10 H 0.81564 0.06422 0.30301 1.00000
H11 H 0.68436 0.93578 0.80301 1.00000
H12 H 0.31564 0.43578 0.69699 1.00000
H13 H 0.43436 0.94699 0.18578 1.00000
H14 H 0.06564 0.05301 0.68578 1.00000
H15 H 0.93436 0.55301 0.81422 1.00000
H16 H 0.56564 0.44699 0.31422 1.00000
H17 H 0.44699 0.31422 0.56564 1.00000
H18 H 0.55301 0.81422 0.93436 1.00000
H19 H 0.05301 0.68578 0.06564 1.00000
H20 H 0.94699 0.18578 0.43436 1.00000
H21 H 0.81422 0.93436 0.55301 1.00000
H22 H 0.31422 0.56564 0.44699 1.00000
H23 H 0.18578 0.43436 0.94699 1.00000
H24 H 0.68578 0.06564 0.05301 1.00000
