Tm(H3Pb)2
Alexandria ALEXAlex-ID: agm097952705 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_6398_spg3
H6Pb TmH3 Pb
2025-04-29 17:54:40
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097952705).
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 agm097952705
data_agm097952705
_cell_length_a 3.94746
_cell_length_b 3.94345
_cell_length_c 8.11447
_cell_angle_alpha 83.78914
_cell_angle_beta 83.74727
_cell_angle_gamma 97.46137
_cell_volume 123.53767
_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
Tm1 Tm 0.44354 0.44568 0.78669 1.00000
H1 H 0.51614 0.51831 0.03889 1.00000
H2 H 0.54008 0.54333 0.51519 1.00000
H3 H 0.50565 0.97162 0.70957 1.00000
H4 H 0.62697 0.03885 0.24794 1.00000
H5 H 0.96953 0.50782 0.70978 1.00000
H6 H 0.03902 0.62328 0.24749 1.00000
Pb1 Pb 0.90408 0.90564 0.04718 1.00000
Pb2 Pb 0.95499 0.94548 0.44728 1.00000
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