Dy2PH3
Alexandria ALEXAlex-ID: agm006396337 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_6_spg12
DyH3 DyP
2024-05-04 01:36:51.976956
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006396337).
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 agm006396337
data_agm006396337
_cell_length_a 7.26399
_cell_length_b 7.26399
_cell_length_c 6.85143
_cell_angle_alpha 64.91021
_cell_angle_beta 64.91021
_cell_angle_gamma 29.60161
_cell_volume 160.48603
_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 0.52780 0.52780 0.24126 1.00000
Dy2 Dy 0.47220 0.47220 0.75874 1.00000
Dy3 Dy 0.21074 0.21074 0.78458 1.00000
Dy4 Dy 0.78926 0.78926 0.21542 1.00000
P1 P 0.12870 0.12870 0.45913 1.00000
P2 P 0.87130 0.87130 0.54087 1.00000
H1 H 0.69593 0.69593 0.01790 1.00000
H2 H 0.06805 0.06805 0.07775 1.00000
H3 H 0.40300 0.40300 0.13026 1.00000
H4 H 0.59700 0.59700 0.86974 1.00000
H5 H 0.93195 0.93195 0.92225 1.00000
H6 H 0.30407 0.30407 0.98210 1.00000
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