PmNd(DyTl)2
Alexandria ALEXAlex-ID: agm048184579 · Space group: Pmc2_1 (#26)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D2_30_spg26
PmDy8 Pm3Dy2Tl3 Dy9Tl4 Nd5Tl3
2024-11-10 11:18:43.361917
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm048184579).
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 agm048184579
data_agm048184579
_cell_length_a 5.16008
_cell_length_b 6.85363
_cell_length_c 10.19951
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 360.70864
_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 0.18671 0.68872 1.00000
Pm2 Pm 0.50000 0.68671 0.31128 1.00000
Nd1 Nd 0.00000 0.95607 0.45774 1.00000
Nd2 Nd 0.00000 0.45607 0.54226 1.00000
Dy1 Dy 0.50000 0.05410 0.04134 1.00000
Dy2 Dy 0.00000 0.33365 0.18329 1.00000
Dy3 Dy 0.50000 0.55410 0.95866 1.00000
Dy4 Dy 0.00000 0.83365 0.81671 1.00000
Tl1 Tl 0.00000 0.29895 0.87283 1.00000
Tl2 Tl 0.50000 0.21613 0.35716 1.00000
Tl3 Tl 0.00000 0.79895 0.12717 1.00000
Tl4 Tl 0.50000 0.71613 0.64284 1.00000
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