TbCe2H7
Alexandria ALEXAlex-ID: agm006209463 · Space group: Imm2 (#44)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_355_spg2
Ce4H9 CeH3 TbH2
2023-12-16 16:59:25
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006209463).
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 agm006209463
data_agm006209463
_cell_length_a 5.28836
_cell_length_b 6.58815
_cell_length_c 6.58415
_cell_angle_alpha 146.40319
_cell_angle_beta 66.32804
_cell_angle_gamma 113.65665
_cell_volume 115.23915
_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
H1 H 0.18925 0.87788 0.47631 1.00000
H2 H 0.76401 0.69490 0.65429 1.00000
H3 H 0.33639 0.53158 0.82148 1.00000
H4 H 0.03636 0.21040 0.14109 1.00000
H5 H 0.69989 0.87788 0.47631 1.00000
H6 H 0.52053 0.21041 0.14106 1.00000
H7 H 0.86128 0.53159 0.82146 1.00000
Tb1 Tb 0.93883 0.37203 0.98195 1.00000
Ce1 Ce 0.27469 0.70687 0.64511 1.00000
Ce2 Ce 0.61115 0.04386 0.30910 1.00000
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