Li2AcMoH8
Alexandria ALEXAlex-ID: agm004912970 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_753_spg12
AcH7 Mo2H3 Li4MoH8 AcH3
2023-01-01 22:27:19.651000
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004912970).
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 agm004912970
data_agm004912970
_cell_length_a 3.38678
_cell_length_b 5.38595
_cell_length_c 7.67189
_cell_angle_alpha 71.33955
_cell_angle_beta 63.80336
_cell_angle_gamma 71.68634
_cell_volume 116.47894
_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
Li1 Li 0.41691 0.46646 0.85019 1.00000
Li2 Li 0.58309 0.53354 0.14981 1.00000
Ac1 Ac 0.00000 0.00000 0.50000 1.00000
Mo1 Mo 0.00000 0.00000 0.00000 1.00000
H1 H 0.11932 0.63645 0.06220 1.00000
H2 H 0.65376 0.88740 0.90254 1.00000
H3 H 0.78304 0.89325 0.27049 1.00000
H4 H 0.88068 0.36355 0.93780 1.00000
H5 H 0.34624 0.11260 0.09746 1.00000
H6 H 0.21696 0.10675 0.72951 1.00000
H7 H 0.57422 0.65062 0.60049 1.00000
H8 H 0.42578 0.34938 0.39951 1.00000
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