Y2Np5Rh2
Alexandria ALEXAlex-ID: agm010045827 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_716_spg71
Np YRh
2024-04-06 14:59:07
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010045827).
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 agm010045827
data_agm010045827
_cell_length_a 3.44006
_cell_length_b 4.61561
_cell_length_c 13.67192
_cell_angle_alpha 95.58173
_cell_angle_beta 112.13318
_cell_angle_gamma 90.02013
_cell_volume 199.97089
_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
Y1 Y 0.92912 0.23216 0.28623 1.00000
Y2 Y 0.07088 0.76784 0.71377 1.00000
Np1 Np 0.38782 0.32490 0.92519 1.00000
Np2 Np 0.61218 0.67510 0.07481 1.00000
Np3 Np 0.30958 0.15610 0.53973 1.00000
Np4 Np 0.69042 0.84390 0.46027 1.00000
Np5 Np 0.00000 0.00000 0.00000 1.00000
Rh1 Rh 0.36783 0.71703 0.24534 1.00000
Rh2 Rh 0.63217 0.28297 0.75466 1.00000
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