Tm8P3Pb4N
Alexandria ALEXAlex-ID: agm004736739 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4D8_65_spg12
Tm5PPb3 TmP TmN Pb
2023-02-05 00:42:04.796548
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004736739).
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 agm004736739
data_agm004736739
_cell_length_a 7.57462
_cell_length_b 8.96208
_cell_length_c 7.57717
_cell_angle_alpha 115.02332
_cell_angle_beta 119.98887
_cell_angle_gamma 90.00000
_cell_volume 388.76703
_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 0.21504 0.68162 0.96667 1.00000
Tm2 Tm 0.21516 0.68169 0.43032 1.00000
Tm3 Tm 0.26790 0.30381 0.53581 1.00000
Tm4 Tm 0.75162 0.68162 0.96667 1.00000
Tm5 Tm 0.24838 0.31838 0.03333 1.00000
Tm6 Tm 0.73210 0.69619 0.46419 1.00000
Tm7 Tm 0.78484 0.31831 0.56968 1.00000
Tm8 Tm 0.78496 0.31838 0.03333 1.00000
P1 P 0.50000 0.50000 0.00000 1.00000
P2 P 0.50000 0.50000 0.50000 1.00000
P3 P 0.00000 0.50000 0.50000 1.00000
Pb1 Pb 0.50000 0.00000 0.00000 1.00000
Pb2 Pb 0.50000 0.00000 0.50000 1.00000
Pb3 Pb 0.00000 0.00000 0.00000 1.00000
Pb4 Pb 0.00000 0.00000 0.50000 1.00000
N1 N 0.00000 0.50000 0.00000 1.00000
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