Nd8ScPd4
Alexandria ALEXAlex-ID: agm098096397 · Space group: Pm (#6)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_1607_spg8
Nd2Sc3Pd4 Nd7Pd3 Sc2Pd
2025-06-18 15:51:12
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm098096397).
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 agm098096397
data_agm098096397
_cell_length_a 3.84430
_cell_length_b 10.89114
_cell_length_c 10.08543
_cell_angle_alpha 59.60006
_cell_angle_beta 90.00080
_cell_angle_gamma 89.98790
_cell_volume 364.20938
_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 0.23059 0.10189 0.29081 1.00000
Nd2 Nd 0.73065 0.70243 0.99833 1.00000
Nd3 Nd 0.23091 0.71148 0.66890 1.00000
Nd4 Nd 0.23103 0.26742 0.71175 1.00000
Nd5 Nd 0.23079 0.67701 0.32523 1.00000
Nd6 Nd 0.73116 0.36801 0.36444 1.00000
Nd7 Nd 0.73112 0.37251 0.94772 1.00000
Nd8 Nd 0.73045 0.01682 0.63193 1.00000
Sc1 Sc 0.73026 0.99787 0.06104 1.00000
Pd1 Pd 0.23026 0.93775 0.91037 1.00000
Pd2 Pd 0.23105 0.46212 0.10329 1.00000
Pd3 Pd 0.73108 0.53047 0.59534 1.00000
Pd4 Pd 0.73064 0.85423 0.39086 1.00000
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