Np4Ge3H2
Alexandria ALEXAlex-ID: agm006350409 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_161_spg15
NpGeH Np2Ge
2024-06-24 12:00:37.965033
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006350409).
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 agm006350409
data_agm006350409
_cell_length_a 7.45328
_cell_length_b 7.45328
_cell_length_c 6.15952
_cell_angle_alpha 79.17159
_cell_angle_beta 79.17159
_cell_angle_gamma 83.21691
_cell_volume 328.87454
_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 0.96527 0.29886 0.39590 1.00000
Np2 Np 0.70114 0.03473 0.10410 1.00000
Np3 Np 0.03473 0.70114 0.60410 1.00000
Np4 Np 0.29886 0.96527 0.89590 1.00000
Np5 Np 0.25054 0.39642 0.15419 1.00000
Np6 Np 0.60358 0.74946 0.34581 1.00000
Np7 Np 0.74946 0.60358 0.84581 1.00000
Np8 Np 0.39642 0.25054 0.65419 1.00000
Ge1 Ge 0.01037 0.27594 0.88881 1.00000
Ge2 Ge 0.72406 0.98963 0.61119 1.00000
Ge3 Ge 0.98963 0.72406 0.11119 1.00000
Ge4 Ge 0.27594 0.01037 0.38881 1.00000
Ge5 Ge 0.61650 0.38350 0.25000 1.00000
Ge6 Ge 0.38350 0.61650 0.75000 1.00000
H1 H 0.17344 0.43819 0.49600 1.00000
H2 H 0.56181 0.82656 0.00400 1.00000
H3 H 0.82656 0.56181 0.50400 1.00000
H4 H 0.43819 0.17344 0.99600 1.00000
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