Np5CoHRh2
Alexandria ALEXAlex-ID: agm007102045 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D5_805_spg1
NpH3 NpCo Np NpRh
2024-06-24 12:06:47.357628
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007102045).
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 agm007102045
data_agm007102045
_cell_length_a 3.58731
_cell_length_b 8.56902
_cell_length_c 11.18476
_cell_angle_alpha 78.47585
_cell_angle_beta 114.87338
_cell_angle_gamma 85.27029
_cell_volume 300.22780
_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 0.63963 0.54120 0.95917 1.00000
Np2 Np 0.31734 0.33181 0.03996 1.00000
Np3 Np 0.81694 0.02167 0.35831 1.00000
Np4 Np 0.15764 0.56593 0.37642 1.00000
Np5 Np 0.53035 0.98677 0.53178 1.00000
Np6 Np 0.79192 0.36144 0.43881 1.00000
Np7 Np 0.41152 0.68325 0.59035 1.00000
Np8 Np 0.30326 0.04739 0.81753 1.00000
Np9 Np 0.12293 0.51589 0.72963 1.00000
Np10 Np 0.85585 0.93604 0.08421 1.00000
Co1 Co 0.50498 0.80173 0.34029 1.00000
Co2 Co 0.76517 0.24696 0.88814 1.00000
H1 H 0.39995 0.06830 0.13476 1.00000
H2 H 0.23276 0.90657 0.65891 1.00000
Rh1 Rh 0.37630 0.64108 0.14928 1.00000
Rh2 Rh 0.06409 0.27689 0.24933 1.00000
Rh3 Rh 0.58182 0.26287 0.64323 1.00000
Rh4 Rh 0.97963 0.80422 0.86194 1.00000
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