TbHPb
Alexandria ALEXAlex-ID: agm003597779 · Space group: P-3m1 (#164)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_3914_spg1
Tb2H2Pb TbH2 Tb2Pb5
2022-03-07 05:24:14.012345
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003597779).
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 agm003597779
data_agm003597779
_cell_length_a 3.67213
_cell_length_b 3.67435
_cell_length_c 11.70748
_cell_angle_alpha 98.97489
_cell_angle_beta 80.97714
_cell_angle_gamma 60.01999
_cell_volume 129.96637
_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 0.79484 0.03905 0.37126 1.00000
Tb2 Tb 0.20516 0.96095 0.62874 1.00000
H1 H 0.59657 0.23646 0.57040 1.00000
H2 H 0.40343 0.76354 0.42960 1.00000
Pb1 Pb 0.35745 0.14614 0.13897 1.00000
Pb2 Pb 0.64255 0.85386 0.86103 1.00000
