PrDy2ErBi4
Alexandria ALEXAlex-ID: agm034199213 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_74_spg74
Dy3ErBi4 DyEr3Bi4 PrBi
2025-03-12 23:14:15
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034199213).
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 agm034199213
data_agm034199213
_cell_length_a 9.02635
_cell_length_b 9.02635
_cell_length_c 9.02635
_cell_angle_alpha 120.02545
_cell_angle_beta 119.99070
_cell_angle_gamma 89.98602
_cell_volume 519.95901
_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 0.50000 1.00000
Pr2 Pr 0.00000 0.00000 0.00000 1.00000
Dy1 Dy 0.00000 0.50000 0.50000 1.00000
Dy2 Dy 0.50000 0.50000 0.00000 1.00000
Dy3 Dy 0.50000 0.00000 0.00000 1.00000
Dy4 Dy 0.50000 0.50000 0.50000 1.00000
Er1 Er 0.00000 0.50000 0.00000 1.00000
Er2 Er 0.00000 0.00000 0.50000 1.00000
Bi1 Bi 0.24928 0.25653 0.50725 1.00000
Bi2 Bi 0.24928 0.74204 0.99275 1.00000
Bi3 Bi 0.75072 0.25796 0.00725 1.00000
Bi4 Bi 0.75072 0.74347 0.49275 1.00000
Bi5 Bi 0.24490 0.74634 0.49855 1.00000
Bi6 Bi 0.74779 0.74634 0.00145 1.00000
Bi7 Bi 0.25221 0.25366 0.99855 1.00000
Bi8 Bi 0.75510 0.25366 0.50145 1.00000
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