NdDy2(YHg)2
Alexandria ALEXAlex-ID: agm024101489 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D2_140_spg12
DyYHg Nd
2025-06-01 01:50:26
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024101489).
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 agm024101489
data_agm024101489
_cell_length_a 6.70478
_cell_length_b 6.70478
_cell_length_c 8.61388
_cell_angle_alpha 80.46598
_cell_angle_beta 99.53402
_cell_angle_gamma 147.52584
_cell_volume 204.79363
_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
Nd1 Nd 0.00000 0.00000 0.00000 1.00000
Dy1 Dy 0.25611 0.74389 0.83499 1.00000
Dy2 Dy 0.74389 0.25611 0.16501 1.00000
Y1 Y 0.87049 0.12951 0.56163 1.00000
Y2 Y 0.12951 0.87049 0.43837 1.00000
Hg1 Hg 0.43925 0.56075 0.27871 1.00000
Hg2 Hg 0.56075 0.43925 0.72129 1.00000
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