BMo2H7
Alexandria ALEXAlex-ID: agm006197883 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_802_spg8
Mo2H3 BMo BH9
2023-10-20 05:00:29
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006197883).
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 agm006197883
data_agm006197883
_cell_length_a 4.41362
_cell_length_b 4.43977
_cell_length_c 4.63837
_cell_angle_alpha 118.97208
_cell_angle_beta 64.19134
_cell_angle_gamma 119.71016
_cell_volume 66.74340
_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 0.95665 0.81546 0.24426 1.00000
H2 H 0.88343 0.78432 0.73683 1.00000
H3 H 0.51876 0.25651 0.58640 1.00000
H4 H 0.06313 0.43912 0.24952 1.00000
H5 H 0.49873 0.77021 0.57533 1.00000
H6 H 0.58041 0.31530 0.21519 1.00000
H7 H 0.00272 0.33027 0.72615 1.00000
Mo1 Mo 0.26328 0.06593 0.92368 1.00000
Mo2 Mo 0.53876 0.83013 0.17969 1.00000
B1 B 0.92652 0.45013 0.03111 1.00000
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