NpH7Ir2
Alexandria ALEXAlex-ID: agm006201754 · Space group: P2/m (#10)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_991_spg10
NpH6Ir Ir H2
2023-11-20 03:34:25
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006201754).
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 agm006201754
data_agm006201754
_cell_length_a 5.92196
_cell_length_b 8.62219
_cell_length_c 4.89190
_cell_angle_alpha 55.08964
_cell_angle_beta 34.07626
_cell_angle_gamma 40.48349
_cell_volume 89.71043
_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 0.99999 0.00000 0.00000 1.00000
H1 H 0.50000 0.50000 0.50000 1.00000
H2 H 0.21469 0.83619 0.45146 1.00000
H3 H 0.12213 0.28395 0.75097 1.00000
H4 H 0.87787 0.71604 0.24904 1.00000
H5 H 0.12568 0.28208 0.43217 1.00000
H6 H 0.87432 0.71792 0.56783 1.00000
H7 H 0.78531 0.16381 0.54853 1.00000
Ir1 Ir 0.83734 0.74834 0.91571 1.00000
Ir2 Ir 0.16266 0.25166 0.08429 1.00000
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