DyTh(PN3)2
Alexandria ALEXAlex-ID: agm016002452 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_262_spg15
Th3PN6 ThN3 Dy2ThPN5 P3N5
2025-03-12 02:31:58
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm016002452).
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 agm016002452
data_agm016002452
_cell_length_a 7.03272
_cell_length_b 7.03272
_cell_length_c 5.34559
_cell_angle_alpha 81.39558
_cell_angle_beta 98.60442
_cell_angle_gamma 90.94488
_cell_volume 258.46565
_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 0.59455 0.59455 0.25000 1.00000
Dy2 Dy 0.40545 0.40545 0.75000 1.00000
Th1 Th 0.17404 0.17404 0.25000 1.00000
Th2 Th 0.82596 0.82596 0.75000 1.00000
P1 P 0.87246 0.30128 0.73104 1.00000
P2 P 0.30128 0.87246 0.76896 1.00000
P3 P 0.12754 0.69872 0.26896 1.00000
P4 P 0.69872 0.12754 0.23104 1.00000
N1 N 0.64869 0.90432 0.32168 1.00000
N2 N 0.90432 0.64869 0.17832 1.00000
N3 N 0.35131 0.09568 0.67832 1.00000
N4 N 0.09568 0.35131 0.82168 1.00000
N5 N 0.86768 0.17703 0.48177 1.00000
N6 N 0.17703 0.86768 0.01823 1.00000
N7 N 0.13232 0.82297 0.51823 1.00000
N8 N 0.82297 0.13232 0.98177 1.00000
N9 N 0.51740 0.27088 0.17434 1.00000
N10 N 0.27088 0.51740 0.32566 1.00000
N11 N 0.48260 0.72912 0.82566 1.00000
N12 N 0.72912 0.48260 0.67434 1.00000
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