Dy2Y3PaP6
Alexandria ALEXAlex-ID: agm032844243 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_201_spg12
Dy2Y3PaP6
2025-03-12 23:00:46
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm032844243).
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 agm032844243
data_agm032844243
_cell_length_a 8.93050
_cell_length_b 8.93050
_cell_length_c 7.99174
_cell_angle_alpha 77.05951
_cell_angle_beta 102.94049
_cell_angle_gamma 154.07864
_cell_volume 271.16296
_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 0.83155 0.16845 0.66926 1.00000
Dy2 Dy 0.16845 0.83155 0.33074 1.00000
Y1 Y 0.50000 0.50000 0.00000 1.00000
Y2 Y 0.83194 0.16806 0.16259 1.00000
Y3 Y 0.16806 0.83194 0.83741 1.00000
Pa1 Pa 0.50000 0.50000 0.50000 1.00000
P1 P 0.33625 0.66375 0.41919 1.00000
P2 P 0.66643 0.33357 0.08416 1.00000
P3 P 0.66375 0.33625 0.58081 1.00000
P4 P 0.00029 0.99971 0.25562 1.00000
P5 P 0.99971 0.00029 0.74438 1.00000
P6 P 0.33357 0.66643 0.91584 1.00000
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