Pr2(Dy3Hg)3
Alexandria ALEXAlex-ID: agm011927652 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C9_1624_spg12
PrDy5 Dy2Hg Pr
2024-07-05 06:56:08.597629
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm011927652).
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 agm011927652
data_agm011927652
_cell_length_a 11.96845
_cell_length_b 11.96845
_cell_length_c 6.73847
_cell_angle_alpha 81.73412
_cell_angle_beta 81.73412
_cell_angle_gamma 25.84184
_cell_volume 416.13628
_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 0.58998 0.58998 0.79950 1.00000
Pr2 Pr 0.41002 0.41002 0.20050 1.00000
Dy1 Dy 0.00000 0.00000 0.00000 1.00000
Dy2 Dy 0.15602 0.15602 0.03545 1.00000
Dy3 Dy 0.84398 0.84398 0.96455 1.00000
Dy4 Dy 0.56264 0.56264 0.30568 1.00000
Dy5 Dy 0.43736 0.43736 0.69432 1.00000
Dy6 Dy 0.28628 0.28628 0.67401 1.00000
Dy7 Dy 0.71372 0.71372 0.32599 1.00000
Dy8 Dy 0.86763 0.86763 0.46265 1.00000
Dy9 Dy 0.13237 0.13237 0.53735 1.00000
Hg1 Hg 0.00000 0.00000 0.50000 1.00000
Hg2 Hg 0.27543 0.27543 0.20594 1.00000
Hg3 Hg 0.72457 0.72457 0.79406 1.00000
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