Np3Ge3Rh2
Alexandria ALEXAlex-ID: agm009431685 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C3_161_spg63
Np(GeRh)2 Np2Ge
2024-10-23 02:31:03.128967
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009431685).
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 agm009431685
data_agm009431685
_cell_length_a 3.65032
_cell_length_b 6.59405
_cell_length_c 12.69157
_cell_angle_alpha 92.33581
_cell_angle_beta 90.00863
_cell_angle_gamma 106.05541
_cell_volume 293.31082
_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 0.60218 0.20386 0.63537 1.00000
Np2 Np 0.97628 0.95238 0.14018 1.00000
Np3 Np 0.02372 0.04762 0.85982 1.00000
Np4 Np 0.39782 0.79614 0.36463 1.00000
Np5 Np 0.45074 0.90164 0.75063 1.00000
Np6 Np 0.54926 0.09836 0.24937 1.00000
Ge1 Ge 0.90970 0.81952 0.56508 1.00000
Ge2 Ge 0.61846 0.23748 0.02632 1.00000
Ge3 Ge 0.38154 0.76252 0.97368 1.00000
Ge4 Ge 0.09030 0.18048 0.43492 1.00000
Ge5 Ge 0.22741 0.45443 0.77211 1.00000
Ge6 Ge 0.77259 0.54557 0.22789 1.00000
Rh1 Rh 0.23568 0.47195 0.09972 1.00000
Rh2 Rh 0.26586 0.53165 0.58017 1.00000
Rh3 Rh 0.73414 0.46835 0.41983 1.00000
Rh4 Rh 0.76432 0.52805 0.90028 1.00000
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