Na2NpGaH8
Alexandria ALEXAlex-ID: agm007260177 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_1677_spg2
NaH NaGaH4 NpH3
2024-02-07 23:06:15
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007260177).
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 agm007260177
data_agm007260177
_cell_length_a 3.81864
_cell_length_b 5.38716
_cell_length_c 6.06215
_cell_angle_alpha 90.45376
_cell_angle_beta 106.30446
_cell_angle_gamma 89.93939
_cell_volume 119.68906
_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
Na1 Na 0.72360 0.54417 0.79646 1.00000
Na2 Na 0.49632 0.53344 0.28327 1.00000
Np1 Np 0.12884 0.02992 0.58684 1.00000
Ga1 Ga 0.07710 0.02844 0.06889 1.00000
H1 H 0.72905 0.01402 0.82163 1.00000
H2 H 0.27500 0.25808 0.92481 1.00000
H3 H 0.98471 0.25161 0.24844 1.00000
H4 H 0.29244 0.81474 0.92999 1.00000
H5 H 0.97577 0.80850 0.24367 1.00000
H6 H 0.58454 0.86029 0.48756 1.00000
H7 H 0.12592 0.61485 0.57407 1.00000
H8 H 0.60667 0.24190 0.53437 1.00000
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