NpAl(ZnH4)2
Alexandria ALEXAlex-ID: agm007432285 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_394_spg2
AlH3 NpH3 Zn ZnH2
2024-02-09 03:33:25
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007432285).
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 agm007432285
data_agm007432285
_cell_length_a 4.22369
_cell_length_b 5.24710
_cell_length_c 5.66038
_cell_angle_alpha 75.23686
_cell_angle_beta 71.23268
_cell_angle_gamma 76.85499
_cell_volume 113.39724
_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 0.50000 0.50000 0.00000 1.00000
Al1 Al 0.00000 0.00000 0.00000 1.00000
Zn1 Zn 0.22458 0.64717 0.53516 1.00000
Zn2 Zn 0.77542 0.35283 0.46484 1.00000
H1 H 0.08858 0.33131 0.91840 1.00000
H2 H 0.27178 0.84061 0.20316 1.00000
H3 H 0.68202 0.12877 0.24513 1.00000
H4 H 0.91142 0.66869 0.08160 1.00000
H5 H 0.72822 0.15939 0.79684 1.00000
H6 H 0.31798 0.87123 0.75487 1.00000
H7 H 0.80806 0.71260 0.64167 1.00000
H8 H 0.19194 0.28740 0.35833 1.00000
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