Np3Be2Ir7
Alexandria ALEXAlex-ID: agm101413472 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C7_3_spg166
BeIr Np2BeIr3 NpIr2
2025-05-15 14:31:25
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm101413472).
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 agm101413472
data_agm101413472
_cell_length_a 8.34715
_cell_length_b 8.34715
_cell_length_c 8.34715
_cell_angle_alpha 37.71845
_cell_angle_beta 37.71845
_cell_angle_gamma 37.71845
_cell_volume 195.29362
_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 0.00000 0.00000 0.00000 1.00000
Np2 Np 0.85981 0.85981 0.85981 1.00000
Np3 Np 0.14019 0.14019 0.14019 1.00000
Be1 Be 0.66445 0.66445 0.66445 1.00000
Be2 Be 0.33555 0.33555 0.33555 1.00000
Ir1 Ir 0.50000 0.50000 0.50000 1.00000
Ir2 Ir 0.42266 0.42266 0.92846 1.00000
Ir3 Ir 0.92846 0.42266 0.42266 1.00000
Ir4 Ir 0.42266 0.92846 0.42266 1.00000
Ir5 Ir 0.57734 0.57734 0.07154 1.00000
Ir6 Ir 0.57734 0.07154 0.57734 1.00000
Ir7 Ir 0.07154 0.57734 0.57734 1.00000
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