Na2TbH9
Alexandria ALEXAlex-ID: agm101787463 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C9_772_spg8
NaH7 TbH3 NaH
2025-05-23 15:01:53
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm101787463).
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 agm101787463
data_agm101787463
_cell_length_a 3.66280
_cell_length_b 6.00936
_cell_length_c 6.92065
_cell_angle_alpha 118.23543
_cell_angle_beta 105.47526
_cell_angle_gamma 89.94690
_cell_volume 127.92366
_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
Na1 Na 0.56705 0.37511 0.72531 1.00000
Na2 Na 0.83765 0.61490 0.25675 1.00000
Tb1 Tb 0.15546 0.98297 0.89358 1.00000
H1 H 0.73461 0.18294 0.05040 1.00000
H2 H 0.20836 0.40491 0.99939 1.00000
H3 H 0.00888 0.59110 0.60087 1.00000
H4 H 0.53785 0.77464 0.65947 1.00000
H5 H 0.69384 0.79821 0.96951 1.00000
H6 H 0.52897 0.89630 0.64167 1.00000
H7 H 0.25765 0.17501 0.30665 1.00000
H8 H 0.00170 0.03021 0.58897 1.00000
H9 H 0.46799 0.17370 0.30745 1.00000
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