Tb2H5C2
Alexandria ALEXAlex-ID: agm007019584 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_369_spg12
TbH3 TbH2 C
2024-01-27 15:58:07.186312
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007019584).
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 agm007019584
data_agm007019584
_cell_length_a 3.77611
_cell_length_b 8.23771
_cell_length_c 6.42536
_cell_angle_alpha 30.15804
_cell_angle_beta 90.14923
_cell_angle_gamma 103.55248
_cell_volume 89.05515
_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 0.28385 0.57729 0.97028 1.00000
H2 H 0.71615 0.42271 0.02972 1.00000
H3 H 0.31426 0.62752 0.29550 1.00000
H4 H 0.68574 0.37248 0.70450 1.00000
H5 H 0.00000 0.00000 0.00000 1.00000
C1 C 0.43221 0.85859 0.58141 1.00000
C2 C 0.56779 0.14141 0.41859 1.00000
Tb1 Tb 0.15084 0.30218 0.93626 1.00000
Tb2 Tb 0.84916 0.69782 0.06374 1.00000
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