Pr3Dy3Tm8
Alexandria ALEXAlex-ID: agm005693680 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B3C8_31_spg71
PrDy5 DyTm5 Pr
2023-06-29 10:43:52.815737
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005693680).
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 agm005693680
data_agm005693680
_cell_length_a 5.61299
_cell_length_b 9.65481
_cell_length_c 9.65482
_cell_angle_alpha 102.34230
_cell_angle_beta 73.09051
_cell_angle_gamma 73.09050
_cell_volume 452.80034
_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
Pr1 Pr 0.50000 0.00000 0.00000 1.00000
Pr2 Pr 0.00000 0.81432 0.18568 1.00000
Pr3 Pr 1.00000 0.18568 0.81432 1.00000
Dy1 Dy 0.50000 0.50000 0.50000 1.00000
Dy2 Dy 0.79691 0.20339 0.20339 1.00000
Dy3 Dy 0.20309 0.79661 0.79661 1.00000
Tm1 Tm 0.66176 0.11867 0.55784 1.00000
Tm2 Tm 0.33824 0.88133 0.44216 1.00000
Tm3 Tm 0.66176 0.55784 0.11867 1.00000
Tm4 Tm 0.33824 0.44216 0.88133 1.00000
Tm5 Tm 0.84196 0.76026 0.55587 1.00000
Tm6 Tm 0.15804 0.23974 0.44413 1.00000
Tm7 Tm 0.84196 0.55587 0.76026 1.00000
Tm8 Tm 0.15804 0.44413 0.23974 1.00000
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