Nd2TmPb3
Alexandria ALEXAlex-ID: agm005664599 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_906_spg65
Nd2Tm3Pb4 NdPb2 NdPb
2023-08-29 17:46:16.943621
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005664599).
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 agm005664599
data_agm005664599
_cell_length_a 5.02109
_cell_length_b 8.05444
_cell_length_c 9.12933
_cell_angle_alpha 89.99901
_cell_angle_beta 89.99681
_cell_angle_gamma 71.83846
_cell_volume 350.81561
_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
Nd1 Nd 0.00000 0.00000 0.00000 1.00000
Nd2 Nd 0.00000 0.00000 0.50000 1.00000
Nd3 Nd 0.33293 0.33413 0.50000 1.00000
Nd4 Nd 0.66707 0.66587 0.50000 1.00000
Tm1 Tm 0.33117 0.33766 0.00000 1.00000
Tm2 Tm 0.66883 0.66234 1.00000 1.00000
Pb1 Pb 0.83140 0.33693 0.75668 1.00000
Pb2 Pb 0.50008 0.00000 0.24460 1.00000
Pb3 Pb 0.16860 0.66307 0.24332 1.00000
Pb4 Pb 0.83167 0.33693 0.24332 1.00000
Pb5 Pb 0.16833 0.66307 0.75668 1.00000
Pb6 Pb 0.49992 1.00000 0.75540 1.00000
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