NpCo2H8Ru
Alexandria ALEXAlex-ID: agm007161981 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_757_spg148
Np(CoH3)2 Ru H8Ru3
2024-03-26 07:46:21.221419
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007161981).
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 agm007161981
data_agm007161981
_cell_length_a 4.83654
_cell_length_b 4.99352
_cell_length_c 5.00095
_cell_angle_alpha 74.94644
_cell_angle_beta 111.29642
_cell_angle_gamma 126.19124
_cell_volume 90.65445
_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 0.00000 1.00000
Co1 Co 0.06942 0.10042 0.24824 1.00000
Co2 Co 0.93058 0.89958 0.75176 1.00000
H1 H 0.06264 0.24306 0.89145 1.00000
H2 H 0.54101 0.25793 0.34595 1.00000
H3 H 0.93736 0.75694 0.10855 1.00000
H4 H 0.82062 0.76230 0.42893 1.00000
H5 H 0.17938 0.23770 0.57107 1.00000
H6 H 0.14554 0.47622 0.22675 1.00000
H7 H 0.85446 0.52378 0.77325 1.00000
H8 H 0.45899 0.74207 0.65405 1.00000
Ru1 Ru 0.00000 0.50000 0.50000 1.00000
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