Na(As3H)2
Alexandria ALEXAlex-ID: agm097351607 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_4271_spg10
Na3As7 AsH As
2025-04-06 23:27:12
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097351607).
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 agm097351607
data_agm097351607
_cell_length_a 4.28174
_cell_length_b 5.82548
_cell_length_c 8.55234
_cell_angle_alpha 95.75233
_cell_angle_beta 89.56312
_cell_angle_gamma 95.76254
_cell_volume 211.17550
_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 0.41183 0.70118 0.41871 1.00000
As1 As 0.43035 0.49889 0.99748 1.00000
As2 As 0.51140 0.23594 0.57471 1.00000
As3 As 0.91533 0.44978 0.16368 1.00000
As4 As 0.01603 0.44537 0.68745 1.00000
As5 As 0.83100 0.03061 0.20657 1.00000
As6 As 0.24093 0.14512 0.82076 1.00000
H1 H 0.02338 0.94146 0.06310 1.00000
H2 H 0.11976 0.05166 0.31754 1.00000
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