NaInH6W
Alexandria ALEXAlex-ID: agm007122091 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD6_124_spg1
InH10 InH2 Na3H8W W
2024-01-28 03:41:37.553141
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007122091).
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 agm007122091
data_agm007122091
_cell_length_a 5.65225
_cell_length_b 5.28677
_cell_length_c 3.69470
_cell_angle_alpha 109.75877
_cell_angle_beta 84.67045
_cell_angle_gamma 107.70906
_cell_volume 98.97579
_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 0.97112 0.12043 0.03722 1.00000
In1 In 0.46690 0.72045 0.33995 1.00000
H1 H 0.76106 0.21967 0.64391 1.00000
H2 H 0.44230 0.13157 0.02798 1.00000
H3 H 0.27009 0.47580 0.77830 1.00000
H4 H 0.18130 0.03001 0.45430 1.00000
H5 H 0.73598 0.41052 0.31610 1.00000
H6 H 0.68493 0.61352 0.83878 1.00000
W1 W 0.48642 0.27779 0.56341 1.00000
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