NaMoH6
Alexandria ALEXAlex-ID: agm079267698 · Space group: Pm (#6)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC6_34_spg2
NaH9 MoH Na3MoH8
2025-06-26 02:44:01
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm079267698).
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 agm079267698
data_agm079267698
_cell_length_a 3.03684
_cell_length_b 5.06745
_cell_length_c 5.97627
_cell_angle_alpha 70.00985
_cell_angle_beta 59.52054
_cell_angle_gamma 53.18311
_cell_volume 63.35618
_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 0.52098 0.14263 0.11683 1.00000
Mo1 Mo 0.93430 0.71186 0.63511 1.00000
H1 H 0.60711 0.69995 0.97454 1.00000
H2 H 0.54840 0.47569 0.75746 1.00000
H3 H 0.74539 0.62060 0.41512 1.00000
H4 H 0.43201 0.10157 0.74786 1.00000
H5 H 0.81857 0.04878 0.41360 1.00000
H6 H 0.14324 0.94892 0.68949 1.00000
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