Np6Ge8Br
Alexandria ALEXAlex-ID: agm072550434 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C8_241_spg2
NpGe3 Np2Ge NpBr
2024-10-06 22:35:56.503977
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072550434).
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 agm072550434
data_agm072550434
_cell_length_a 6.69937
_cell_length_b 7.91094
_cell_length_c 8.35165
_cell_angle_alpha 47.22157
_cell_angle_beta 83.87598
_cell_angle_gamma 71.54077
_cell_volume 304.40846
_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 0.87029 0.96564 0.83693 1.00000
Np2 Np 0.92600 0.91349 0.46064 1.00000
Np3 Np 0.34782 0.16754 0.87207 1.00000
Np4 Np 0.12971 0.03436 0.16307 1.00000
Np5 Np 0.07400 0.08651 0.53936 1.00000
Np6 Np 0.65218 0.83246 0.12793 1.00000
Ge1 Ge 0.29718 0.71216 0.06065 1.00000
Ge2 Ge 0.70282 0.28784 0.93935 1.00000
Ge3 Ge 0.57097 0.35332 0.43529 1.00000
Ge4 Ge 0.53527 0.88589 0.72581 1.00000
Ge5 Ge 0.82644 0.46777 0.08886 1.00000
Ge6 Ge 0.42903 0.64668 0.56471 1.00000
Ge7 Ge 0.46473 0.11411 0.27419 1.00000
Ge8 Ge 0.17356 0.53223 0.91114 1.00000
Br1 Br 0.00000 0.50000 0.50000 1.00000
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