Mo7H12
Alexandria ALEXAlex-ID: agm097737500 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A7B12_76_spg148
Mo2H3 H2
2025-04-28 15:13:15
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097737500).
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 agm097737500
data_agm097737500
_cell_length_a 5.29141
_cell_length_b 5.29181
_cell_length_c 5.29153
_cell_angle_alpha 99.76456
_cell_angle_beta 99.75381
_cell_angle_gamma 99.76040
_cell_volume 140.88143
_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
Mo1 Mo 0.70046 0.43905 0.83691 1.00000
Mo2 Mo 0.29945 0.56094 0.16316 1.00000
Mo3 Mo 0.83686 0.70038 0.43900 1.00000
Mo4 Mo 0.16307 0.29949 0.56096 1.00000
Mo5 Mo 0.43904 0.83688 0.70052 1.00000
Mo6 Mo 0.56099 0.16322 0.29950 1.00000
Mo7 Mo 0.99991 0.00002 0.99999 1.00000
H1 H 0.09860 0.61631 0.69902 1.00000
H2 H 0.90186 0.38367 0.30085 1.00000
H3 H 0.69886 0.09870 0.61634 1.00000
H4 H 0.30122 0.90137 0.38368 1.00000
H5 H 0.61630 0.69894 0.09868 1.00000
H6 H 0.38362 0.30102 0.90144 1.00000
H7 H 0.02921 0.32522 0.88822 1.00000
H8 H 0.97072 0.67485 0.11171 1.00000
H9 H 0.88819 0.02920 0.32528 1.00000
H10 H 0.11172 0.97068 0.67471 1.00000
H11 H 0.32517 0.88826 0.02932 1.00000
H12 H 0.67473 0.11178 0.97070 1.00000
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