Tm8PPb6
Alexandria ALEXAlex-ID: agm072142579 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C8_217_spg148
Tm5PPb3 TmPb
2024-10-07 04:14:12.722265
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072142579).
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 agm072142579
data_agm072142579
_cell_length_a 7.81784
_cell_length_b 7.81784
_cell_length_c 7.81784
_cell_angle_alpha 72.20760
_cell_angle_beta 72.20760
_cell_angle_gamma 72.20760
_cell_volume 421.16866
_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 0.71773 0.71773 0.71773 1.00000
Tm2 Tm 0.28227 0.28227 0.28227 1.00000
Tm3 Tm 0.14132 0.66974 0.91251 1.00000
Tm4 Tm 0.66974 0.91251 0.14132 1.00000
Tm5 Tm 0.91251 0.14132 0.66974 1.00000
Tm6 Tm 0.85868 0.33026 0.08749 1.00000
Tm7 Tm 0.33026 0.08749 0.85868 1.00000
Tm8 Tm 0.08749 0.85868 0.33026 1.00000
P1 P 0.00000 0.00000 0.00000 1.00000
Pb1 Pb 0.87208 0.54042 0.35978 1.00000
Pb2 Pb 0.54042 0.35978 0.87208 1.00000
Pb3 Pb 0.35978 0.87208 0.54042 1.00000
Pb4 Pb 0.12792 0.45958 0.64022 1.00000
Pb5 Pb 0.45958 0.64022 0.12792 1.00000
Pb6 Pb 0.64022 0.12792 0.45958 1.00000
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