Np2NiGeO6
Alexandria ALEXAlex-ID: agm002299367 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_1_spg225
NpO2 Ni GeO2
2018-10-17 20:20:14
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002299367).
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 agm002299367
data_agm002299367
_cell_length_a 5.41103
_cell_length_b 5.41135
_cell_length_c 5.41175
_cell_angle_alpha 61.87879
_cell_angle_beta 61.87939
_cell_angle_gamma 61.88281
_cell_volume 116.76586
_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 0.75057 0.75055 0.75041 1.00000
Np2 Np 0.25023 0.25025 0.25038 1.00000
Ni1 Ni 0.00040 0.00040 0.00040 1.00000
Ge1 Ge 0.50043 0.50040 0.50040 1.00000
O1 O 0.26618 0.81623 0.66553 1.00000
O2 O 0.81630 0.66546 0.26667 1.00000
O3 O 0.66532 0.26624 0.81640 1.00000
O4 O 0.33548 0.73460 0.18439 1.00000
O5 O 0.18451 0.33533 0.73417 1.00000
O6 O 0.73465 0.18459 0.33527 1.00000
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