Pm3Dy2ThP6
Alexandria ALEXAlex-ID: agm035975693 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_28_spg12
Pm3ThP4 DyP
2025-04-01 15:50:40
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm035975693).
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 agm035975693
data_agm035975693
_cell_length_a 9.15676
_cell_length_b 9.15676
_cell_length_c 8.19333
_cell_angle_alpha 76.94631
_cell_angle_beta 103.05369
_cell_angle_gamma 154.12586
_cell_volume 291.63387
_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
Pm1 Pm 0.50000 0.50000 0.00000 1.00000
Pm2 Pm 0.83231 0.16769 0.66953 1.00000
Pm3 Pm 0.16769 0.83231 0.33047 1.00000
Dy1 Dy 0.83153 0.16847 0.16344 1.00000
Dy2 Dy 0.16847 0.83153 0.83656 1.00000
Th1 Th 0.50000 0.50000 0.50000 1.00000
P1 P 0.33399 0.66601 0.41229 1.00000
P2 P 0.66817 0.33183 0.07872 1.00000
P3 P 0.66601 0.33399 0.58771 1.00000
P4 P 0.00202 0.99798 0.74974 1.00000
P5 P 0.99798 0.00202 0.25026 1.00000
P6 P 0.33183 0.66817 0.92128 1.00000
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