NdHo4Pb5
Alexandria ALEXAlex-ID: agm003661032 · Space group: I4/m (#87)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C5_149_spg79
HoPb Nd2Ho3Pb4 Nd2Pb5
2022-04-07 03:41:51.065298
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003661032).
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 agm003661032
data_agm003661032
_cell_length_a 6.31457
_cell_length_b 7.73220
_cell_length_c 7.73220
_cell_angle_alpha 80.40207
_cell_angle_beta 65.90005
_cell_angle_gamma 65.90005
_cell_volume 314.58230
_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 0.00266 1.00000 1.00000 1.00000
Ho1 Ho 0.39683 0.40144 0.80619 1.00000
Ho2 Ho 0.79828 0.80619 0.59856 1.00000
Ho3 Ho 0.20302 0.19381 0.40144 1.00000
Ho4 Ho 0.60447 0.59856 0.19381 1.00000
Pb1 Pb 0.90167 0.40559 0.79218 1.00000
Pb2 Pb 0.30727 0.79218 0.59440 1.00000
Pb3 Pb 0.69385 0.20782 0.40559 1.00000
Pb4 Pb 0.09944 0.59440 0.20782 1.00000
Pb5 Pb 0.50281 0.00000 0.00000 1.00000
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