Na3Mn2H7
Alexandria ALEXAlex-ID: agm006366236 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C7_1_spg139
Na3MnH8 Mn2H NaH
2024-02-24 18:45:04
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006366236).
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 agm006366236
data_agm006366236
_cell_length_a 9.77286
_cell_length_b 9.77286
_cell_length_c 9.77286
_cell_angle_alpha 158.98714
_cell_angle_beta 158.98714
_cell_angle_gamma 29.88814
_cell_volume 119.94296
_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 0.31376 0.31376 0.00000 1.00000
Na2 Na 0.68624 0.68624 0.00000 1.00000
Na3 Na 0.50000 0.50000 0.00000 1.00000
Mn1 Mn 0.09472 0.09472 0.00000 1.00000
Mn2 Mn 0.90528 0.90528 0.00000 1.00000
H1 H 0.00000 0.00000 0.00000 1.00000
H2 H 0.40663 0.90663 0.50000 1.00000
H3 H 0.90663 0.40663 0.50000 1.00000
H4 H 0.59337 0.09337 0.50000 1.00000
H5 H 0.09337 0.59337 0.50000 1.00000
H6 H 0.18958 0.18958 0.00000 1.00000
H7 H 0.81042 0.81042 0.00000 1.00000
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