Na2AsH4
Alexandria ALEXAlex-ID: agm096470874 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_412_spg71
NaH7 Na2AsH NaAs
2025-04-10 19:53:12
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm096470874).
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 agm096470874
data_agm096470874
_cell_length_a 3.95854
_cell_length_b 4.74055
_cell_length_c 6.12387
_cell_angle_alpha 79.21479
_cell_angle_beta 87.70948
_cell_angle_gamma 91.53685
_cell_volume 112.72950
_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 0.93589 0.14434 0.86304 1.00000
Na2 Na 0.44671 0.96352 0.37694 1.00000
As1 As 0.96463 0.54244 0.19590 1.00000
H1 H 0.35247 0.49502 0.21093 1.00000
H2 H 0.44225 0.58916 0.73229 1.00000
H3 H 0.90300 0.32117 0.43165 1.00000
H4 H 0.45505 0.44434 0.68926 1.00000
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