CoMo2H7
Alexandria ALEXAlex-ID: agm006204544 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_313_spg2
Mo2H3 H2 CoH
2023-11-02 23:49:45
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006204544).
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 agm006204544
data_agm006204544
_cell_length_a 4.73945
_cell_length_b 4.91321
_cell_length_c 5.13972
_cell_angle_alpha 64.53082
_cell_angle_beta 46.47830
_cell_angle_gamma 50.25487
_cell_volume 66.71642
_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 0.27332 0.81724 0.17611 1.00000
H3 H 0.46269 0.25526 0.32690 1.00000
H4 H 0.53731 0.74474 0.67310 1.00000
H5 H 0.90902 0.70117 0.07743 1.00000
H6 H 0.09098 0.29883 0.92257 1.00000
H7 H 0.72668 0.18276 0.82389 1.00000
Mo1 Mo 0.90955 0.75761 0.68779 1.00000
Mo2 Mo 0.09045 0.24239 0.31221 1.00000
Co1 Co 0.00000 0.00000 0.00000 1.00000
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