Na2FeHgH8
Alexandria ALEXAlex-ID: agm007430163 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_209_spg12
FeH Na3FeH7 Hg HgH4
2024-02-08 02:25:20
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007430163).
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
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm007430163
data_agm007430163
_cell_length_a 4.97731
_cell_length_b 4.98166
_cell_length_c 7.41246
_cell_angle_alpha 69.45067
_cell_angle_beta 110.73168
_cell_angle_gamma 116.65334
_cell_volume 149.50969
_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 0.60796 0.39162 0.84931 1.00000
Na2 Na 0.39204 0.60838 0.15069 1.00000
Fe1 Fe 0.00000 0.00000 0.00000 1.00000
Hg1 Hg 0.00000 0.00000 0.50000 1.00000
H1 H 0.34310 0.09618 0.13598 1.00000
H2 H 0.11550 0.88455 0.87668 1.00000
H3 H 0.90401 0.65778 0.13513 1.00000
H4 H 0.65690 0.90382 0.86402 1.00000
H5 H 0.88450 0.11545 0.12332 1.00000
H6 H 0.09599 0.34222 0.86487 1.00000
H7 H 0.31809 0.32181 0.49989 1.00000
H8 H 0.68191 0.67819 0.50011 1.00000
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