NpZn(H4Au)2
Alexandria ALEXAlex-ID: agm007479733 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_369_spg2
ZnAu Zn2Au3 NpH3 H6Au
2024-02-08 06:19:07
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007479733).
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 agm007479733
data_agm007479733
_cell_length_a 4.84807
_cell_length_b 5.86071
_cell_length_c 5.02283
_cell_angle_alpha 100.38629
_cell_angle_beta 100.33926
_cell_angle_gamma 105.47204
_cell_volume 131.33275
_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 0.42503 0.53399 0.98126 1.00000
Zn1 Zn 0.02633 0.94333 0.01114 1.00000
H1 H 0.12846 0.23472 0.07947 1.00000
H2 H 0.86250 0.84498 0.33004 1.00000
H3 H 0.67842 0.84086 0.86348 1.00000
H4 H 0.44011 0.01940 0.45759 1.00000
H5 H 0.38055 0.56595 0.48749 1.00000
H6 H 0.80804 0.37127 0.84398 1.00000
H7 H 0.26224 0.83497 0.85881 1.00000
H8 H 0.64297 0.26167 0.14624 1.00000
Au1 Au 0.13988 0.73505 0.44685 1.00000
Au2 Au 0.70545 0.31382 0.49364 1.00000
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