NpZn(H4Ru)2
Alexandria ALEXAlex-ID: agm007461346 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_210_spg2
Zn2H6Ru NpH5Ru Ru
2024-03-16 07:20:42.909154
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007461346).
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 agm007461346
data_agm007461346
_cell_length_a 4.44586
_cell_length_b 4.48889
_cell_length_c 6.17342
_cell_angle_alpha 68.91436
_cell_angle_beta 89.29796
_cell_angle_gamma 60.29266
_cell_volume 97.72713
_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 0.00000 0.50000 1.00000
Zn1 Zn 0.00000 0.00000 0.00000 1.00000
H1 H 0.92532 0.12317 0.34236 1.00000
H2 H 0.82578 0.61498 0.86790 1.00000
H3 H 0.07468 0.87683 0.65764 1.00000
H4 H 0.17422 0.38502 0.13210 1.00000
H5 H 0.08019 0.39464 0.65084 1.00000
H6 H 0.91981 0.60536 0.34916 1.00000
H7 H 0.59213 0.35875 0.68989 1.00000
H8 H 0.40787 0.64125 0.31011 1.00000
Ru1 Ru 0.28493 0.42935 0.85762 1.00000
Ru2 Ru 0.71507 0.57065 0.14238 1.00000
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