Mo2H7Pb
Alexandria ALEXAlex-ID: agm006204579 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_833_spg2
H6Pb MoH Pb
2024-02-06 19:45:39
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006204579).
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 agm006204579
data_agm006204579
_cell_length_a 16.16317
_cell_length_b 4.32992
_cell_length_c 3.07068
_cell_angle_alpha 45.53564
_cell_angle_beta 43.60387
_cell_angle_gamma 39.72304
_cell_volume 89.55677
_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
Pb1 Pb 0.00000 0.00000 0.00000 1.00000
H1 H 0.50000 0.50000 0.50000 1.00000
H2 H 0.38716 0.57537 0.35380 1.00000
H3 H 0.74914 0.99977 0.05534 1.00000
H4 H 0.25086 0.00023 0.94466 1.00000
H5 H 0.74832 0.58514 0.97434 1.00000
H6 H 0.25168 0.41486 0.02566 1.00000
H7 H 0.61284 0.42463 0.64620 1.00000
Mo1 Mo 0.63472 0.71634 0.77808 1.00000
Mo2 Mo 0.36528 0.28366 0.22192 1.00000
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