Tb2NdH8
Alexandria ALEXAlex-ID: agm005946321 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C8_743_spg71
Nd4H9 TbH3 TbNd3H8
2023-07-10 11:32:01.490236
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005946321).
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 agm005946321
data_agm005946321
_cell_length_a 3.71028
_cell_length_b 5.27819
_cell_length_c 6.43480
_cell_angle_alpha 114.21271
_cell_angle_beta 106.75607
_cell_angle_gamma 90.00000
_cell_volume 109.03729
_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
Tb1 Tb 0.16994 0.66994 0.33988 1.00000
Tb2 Tb 0.83006 0.33006 0.66012 1.00000
Nd1 Nd 0.50000 0.00000 0.00000 1.00000
H1 H 0.66479 0.89863 0.32957 1.00000
H2 H 0.33521 0.56906 0.67042 1.00000
H3 H 0.15761 0.15760 0.31522 1.00000
H4 H 0.00000 0.28279 0.00000 1.00000
H5 H 0.84239 0.84240 0.68478 1.00000
H6 H 0.66479 0.43094 0.32958 1.00000
H7 H 0.33521 0.10137 0.67043 1.00000
H8 H 1.00000 0.71721 1.00000 1.00000
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