Mo2H7C
Alexandria ALEXAlex-ID: agm006200211 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_782_spg2
Mo2H3 H4C
2023-11-02 10:16:55
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006200211).
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 agm006200211
data_agm006200211
_cell_length_a 5.38931
_cell_length_b 9.04968
_cell_length_c 9.04974
_cell_angle_alpha 21.83789
_cell_angle_beta 28.30044
_cell_angle_gamma 28.30035
_cell_volume 72.67038
_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
H1 H 0.50000 0.50000 0.50000 1.00000
H2 H 0.57719 0.63245 0.14286 1.00000
H3 H 0.61450 0.24436 0.24437 1.00000
H4 H 0.38550 0.75564 0.75563 1.00000
H5 H 0.42287 0.85704 0.36764 1.00000
H6 H 0.57713 0.14296 0.63236 1.00000
H7 H 0.42281 0.36755 0.85714 1.00000
C1 C 0.00000 0.00000 0.00000 1.00000
Mo1 Mo 0.74981 0.75710 0.75708 1.00000
Mo2 Mo 0.25019 0.24290 0.24292 1.00000
Get direct link