La5(PrDy6)2
Alexandria ALEXAlex-ID: agm005659192 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C12_416_spg2
LaPr LaDy4
2023-06-27 23:06:29.232514
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005659192).
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 agm005659192
data_agm005659192
_cell_length_a 6.86458
_cell_length_b 15.23343
_cell_length_c 16.47308
_cell_angle_alpha 155.26257
_cell_angle_beta 91.23365
_cell_angle_gamma 99.74246
_cell_volume 643.14056
_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
La1 La 0.23358 0.46833 0.50330 1.00000
La2 La 0.57535 0.06330 0.44637 1.00000
La3 La 0.00000 0.00000 0.50000 1.00000
La4 La 0.42465 0.93670 0.55363 1.00000
La5 La 0.76642 0.53167 0.49670 1.00000
Pr1 Pr 0.73680 0.95640 0.98779 1.00000
Pr2 Pr 0.26320 0.04360 0.01221 1.00000
Dy1 Dy 0.91640 0.99839 0.24295 1.00000
Dy2 Dy 0.12170 0.60125 0.98579 1.00000
Dy3 Dy 0.61305 0.51006 0.93081 1.00000
Dy4 Dy 0.08315 0.44511 0.25766 1.00000
Dy5 Dy 0.61858 0.52077 0.27662 1.00000
Dy6 Dy 0.56405 0.94012 0.76435 1.00000
Dy7 Dy 0.43595 0.05988 0.23565 1.00000
Dy8 Dy 0.91685 0.55489 0.74234 1.00000
Dy9 Dy 0.38142 0.47923 0.72338 1.00000
Dy10 Dy 0.87830 0.39875 0.01421 1.00000
Dy11 Dy 0.38695 0.48994 0.06919 1.00000
Dy12 Dy 0.08360 0.00161 0.75705 1.00000
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