Nd3HPb2
Alexandria ALEXAlex-ID: agm003418307 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_1093_spg15
Nd4Pb3 Nd2H2Pb
2022-02-13 08:24:56.679021
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003418307).
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 agm003418307
data_agm003418307
_cell_length_a 6.53563
_cell_length_b 8.95309
_cell_length_c 6.81125
_cell_angle_alpha 103.43030
_cell_angle_beta 118.67023
_cell_angle_gamma 90.00000
_cell_volume 337.21474
_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 0.34579 0.25000 1.00000 1.00000
Nd2 Nd 0.65421 0.75000 0.00000 1.00000
Nd3 Nd 0.02328 0.15391 0.28894 1.00000
Nd4 Nd 0.73433 0.34609 0.71106 1.00000
Nd5 Nd 0.26567 0.65391 0.28894 1.00000
Nd6 Nd 0.97672 0.84609 0.71106 1.00000
H1 H 0.99516 0.75000 1.00000 1.00000
H2 H 0.00484 0.25000 0.00000 1.00000
Pb1 Pb 0.77208 0.50663 0.29044 1.00000
Pb2 Pb 0.51836 0.00663 0.29044 1.00000
Pb3 Pb 0.48164 0.99337 0.70956 1.00000
Pb4 Pb 0.22792 0.49337 0.70956 1.00000
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