Np2Ga3Au
Alexandria ALEXAlex-ID: agm017478337 · Space group: Fmmm (#69)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_2561_spg72
NpGaAu Np2Ga NpGa3
2025-04-15 05:48:27
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017478337).
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 agm017478337
data_agm017478337
_cell_length_a 5.60686
_cell_length_b 5.60686
_cell_length_c 8.86487
_cell_angle_alpha 80.33794
_cell_angle_beta 99.66206
_cell_angle_gamma 61.96927
_cell_volume 232.55276
_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
Np1 Np 0.25000 0.25000 0.00000 1.00000
Np2 Np 0.26239 0.73761 0.50012 1.00000
Np3 Np 0.75000 0.75000 0.00000 1.00000
Np4 Np 0.73761 0.26239 0.49988 1.00000
Ga1 Ga 0.83754 0.67178 0.66591 1.00000
Ga2 Ga 0.67178 0.83754 0.33409 1.00000
Ga3 Ga 0.16246 0.32822 0.33409 1.00000
Ga4 Ga 0.32822 0.16246 0.66591 1.00000
Ga5 Ga 0.16514 0.83486 0.83027 1.00000
Ga6 Ga 0.83486 0.16514 0.16973 1.00000
Au1 Au 0.66728 0.33272 0.83438 1.00000
Au2 Au 0.33272 0.66728 0.16562 1.00000
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