AcMoH6
Alexandria ALEXAlex-ID: agm123722612 · Space group: Pm (#6)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC6_4_spg166
Mo2H3 AcH7 AcH3
2025-06-26 17:16:31
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm123722612).
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 agm123722612
data_agm123722612
_cell_length_a 3.45496
_cell_length_b 4.49563
_cell_length_c 5.66585
_cell_angle_alpha 114.75317
_cell_angle_beta 90.10811
_cell_angle_gamma 89.84501
_cell_volume 79.91720
_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
Ac1 Ac 0.43765 0.32857 0.69767 1.00000
Mo1 Mo 0.93689 0.03774 0.11580 1.00000
H1 H 0.93826 0.94310 0.38841 1.00000
H2 H 0.93797 0.61370 0.04708 1.00000
H3 H 0.93643 0.40469 0.40852 1.00000
H4 H 0.43750 0.25561 0.10940 1.00000
H5 H 0.93713 0.88203 0.75674 1.00000
H6 H 0.43817 0.86789 0.14305 1.00000
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