NpAg(H4Ir)2
Alexandria ALEXAlex-ID: agm004875861 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_697_spg12
Ag3H6Ir NpH6Ir Ir
2023-01-01 22:26:57.802931
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004875861).
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
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm004875861
data_agm004875861
_cell_length_a 4.38442
_cell_length_b 4.84561
_cell_length_c 6.35910
_cell_angle_alpha 63.76471
_cell_angle_beta 69.83431
_cell_angle_gamma 63.10146
_cell_volume 106.28837
_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 0.50000 0.50000 0.50000 1.00000
Ag1 Ag 0.00000 0.00000 0.00000 1.00000
H1 H 0.92582 0.49492 0.65344 1.00000
H2 H 0.72611 0.42795 0.11983 1.00000
H3 H 0.07418 0.50508 0.34656 1.00000
H4 H 0.27389 0.57205 0.88017 1.00000
H5 H 0.55867 0.04314 0.33841 1.00000
H6 H 0.44133 0.95686 0.66159 1.00000
H7 H 0.05978 0.04314 0.33841 1.00000
H8 H 0.94022 0.95686 0.66159 1.00000
Ir1 Ir 0.27537 0.29016 0.15911 1.00000
Ir2 Ir 0.72463 0.70984 0.84089 1.00000
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