Pr4DyEr2
Alexandria ALEXAlex-ID: agm005874487 · Space group: Fdd2 (#43)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_2695_spg43
PrDyEr4 PrDy5 Pr
2023-10-19 21:54:39
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005874487).
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 agm005874487
data_agm005874487
_cell_length_a 12.64617
_cell_length_b 12.64615
_cell_length_c 6.84848
_cell_angle_alpha 96.98599
_cell_angle_beta 96.98699
_cell_angle_gamma 150.25365
_cell_volume 478.52923
_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 0.71159 0.17389 0.86216 1.00000
Pr2 Pr 0.17390 0.71160 0.36217 1.00000
Pr3 Pr 0.18615 0.79509 0.89738 1.00000
Pr4 Pr 0.79509 0.18615 0.39738 1.00000
Pr5 Pr 0.03946 0.14844 0.60298 1.00000
Pr6 Pr 0.56213 0.59998 0.13878 1.00000
Pr7 Pr 0.59998 0.56213 0.63878 1.00000
Pr8 Pr 0.14844 0.03946 0.10298 1.00000
Dy1 Dy 0.42102 0.67108 0.50011 1.00000
Dy2 Dy 0.67108 0.42102 0.00011 1.00000
Er1 Er 0.62268 0.30518 0.45159 1.00000
Er2 Er 0.92086 0.10370 0.04846 1.00000
Er3 Er 0.10371 0.92085 0.54846 1.00000
Er4 Er 0.30517 0.62269 0.95158 1.00000
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