NpGa2Br5
Alexandria ALEXAlex-ID: agm005890552 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C5_540_spg8
GaBr NpBr3
2023-08-25 05:43:25
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005890552).
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 agm005890552
data_agm005890552
_cell_length_a 5.84264
_cell_length_b 8.39422
_cell_length_c 8.43415
_cell_angle_alpha 91.83491
_cell_angle_beta 66.54787
_cell_angle_gamma 64.37666
_cell_volume 331.57628
_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 0.02172 0.02135 0.99854 1.00000
Ga1 Ga 0.65997 0.59900 0.19425 1.00000
Ga2 Ga 0.67885 0.02059 0.57724 1.00000
Br1 Br 0.62352 0.28203 0.33359 1.00000
Br2 Br 0.01360 0.32456 0.85035 1.00000
Br3 Br 0.08400 0.74408 0.19960 1.00000
Br4 Br 0.35788 0.82129 0.62966 1.00000
Br5 Br 0.56046 0.96412 0.99379 1.00000
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