NdPt9Pb2
Alexandria ALEXAlex-ID: agm005936070 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C9_0_spg166
NdPt5 PtPb Pt
2023-07-24 12:06:08.168872
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005936070).
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 agm005936070
data_agm005936070
_cell_length_a 5.46306
_cell_length_b 5.46306
_cell_length_c 9.43357
_cell_angle_alpha 73.16873
_cell_angle_beta 73.16873
_cell_angle_gamma 59.99998
_cell_volume 229.79323
_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
Pt1 Pt 0.66707 0.66707 0.99880 1.00000
Pt2 Pt 0.33293 0.33293 0.00120 1.00000
Pt3 Pt 0.50000 0.50000 0.50000 1.00000
Pt4 Pt 0.41507 0.41507 0.25056 1.00000
Pt5 Pt 0.91929 0.41507 0.25056 1.00000
Pt6 Pt 0.41507 0.91929 0.25056 1.00000
Pt7 Pt 0.58493 0.58493 0.74944 1.00000
Pt8 Pt 0.58493 0.08071 0.74944 1.00000
Pt9 Pt 0.08071 0.58493 0.74944 1.00000
Pb1 Pb 0.86169 0.86169 0.41494 1.00000
Pb2 Pb 0.13831 0.13831 0.58506 1.00000
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