Yb(NdSe2)2
Alexandria ALEXAlex-ID: agm077906006 · Space group: I-42d (#122)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_39_spg122
Nd2Se3 YbSe
2025-01-10 04:00:17
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm077906006).
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 agm077906006
data_agm077906006
_cell_length_a 7.72677
_cell_length_b 7.72677
_cell_length_c 7.72677
_cell_angle_alpha 109.64707
_cell_angle_beta 109.64707
_cell_angle_gamma 109.12009
_cell_volume 355.10816
_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
Yb1 Yb 0.00000 0.00000 0.00000 1.00000
Yb2 Yb 0.75000 0.25000 0.50000 1.00000
Nd1 Nd 0.37500 0.75145 0.87645 1.00000
Nd2 Nd 0.24855 0.12500 0.62355 1.00000
Nd3 Nd 0.87500 0.49855 0.12355 1.00000
Nd4 Nd 0.50145 0.62500 0.37645 1.00000
Se1 Se 0.12344 0.37577 0.89486 1.00000
Se2 Se 0.62423 0.51909 0.74767 1.00000
Se3 Se 0.48091 0.22858 0.10514 1.00000
Se4 Se 0.77142 0.87656 0.25233 1.00000
Se5 Se 0.62656 0.02142 0.75233 1.00000
Se6 Se 0.12577 0.37344 0.39486 1.00000
Se7 Se 0.26909 0.87423 0.24767 1.00000
Se8 Se 0.97858 0.73091 0.60514 1.00000
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