Nd8NpGa4
Alexandria ALEXAlex-ID: agm097745175 · Space group: Pm (#6)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_240_spg12
Nd5Ga3 Nd Np
2025-06-15 11:53:10
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097745175).
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 agm097745175
data_agm097745175
_cell_length_a 4.97236
_cell_length_b 9.46806
_cell_length_c 8.61873
_cell_angle_alpha 67.76048
_cell_angle_beta 89.99455
_cell_angle_gamma 89.99973
_cell_volume 375.57396
_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 0.19223 0.29161 0.09159 1.00000
Nd2 Nd 0.19221 0.65912 0.11477 1.00000
Nd3 Nd 0.19212 0.65339 0.67502 1.00000
Nd4 Nd 0.19220 0.12023 0.75258 1.00000
Nd5 Nd 0.69235 0.79092 0.36692 1.00000
Nd6 Nd 0.69225 0.25747 0.39295 1.00000
Nd7 Nd 0.69217 0.40245 0.71314 1.00000
Nd8 Nd 0.69211 0.85179 0.77398 1.00000
Np1 Np 0.69237 0.07089 0.99914 1.00000
Ga1 Ga 0.19249 0.94788 0.17865 1.00000
Ga2 Ga 0.69233 0.51055 0.00861 1.00000
Ga3 Ga 0.19243 0.44442 0.47033 1.00000
Ga4 Ga 0.19275 0.99929 0.46231 1.00000
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