Tb2Dy3PaP6
Alexandria ALEXAlex-ID: agm034230301 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_201_spg12
Dy5PaP6 Tb3Dy2PaP6
2025-02-22 01:04:32
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034230301).
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
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# CIF generated by HEAS from Alexandria entry agm034230301
data_agm034230301
_cell_length_a 8.94083
_cell_length_b 8.94083
_cell_length_c 8.00547
_cell_angle_alpha 77.00889
_cell_angle_beta 102.99111
_cell_angle_gamma 154.11224
_cell_volume 271.87191
_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
Tb1 Tb 0.83175 0.16825 0.66953 1.00000
Tb2 Tb 0.16825 0.83175 0.33047 1.00000
Dy1 Dy 0.50000 0.50000 0.00000 1.00000
Dy2 Dy 0.83179 0.16821 0.16246 1.00000
Dy3 Dy 0.16821 0.83179 0.83754 1.00000
Pa1 Pa 0.50000 0.50000 0.50000 1.00000
P1 P 0.33659 0.66341 0.41798 1.00000
P2 P 0.66633 0.33367 0.08263 1.00000
P3 P 0.66341 0.33659 0.58202 1.00000
P4 P 0.99973 0.00027 0.25494 1.00000
P5 P 0.00027 0.99973 0.74506 1.00000
P6 P 0.33367 0.66633 0.91737 1.00000
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