CeMo2H7
Alexandria ALEXAlex-ID: agm006205490 · Space group: C2 (#5)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_520_spg2
Mo2H3 CeH3 H2
2024-02-07 10:13:11
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006205490).
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 agm006205490
data_agm006205490
_cell_length_a 4.55645
_cell_length_b 3.22598
_cell_length_c 9.08710
_cell_angle_alpha 120.60134
_cell_angle_beta 77.51375
_cell_angle_gamma 134.93163
_cell_volume 79.10898
_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 0.36385 0.28890 0.39518 1.00000
H2 H 0.76997 0.69765 0.59828 1.00000
H3 H 0.37935 0.38119 0.77907 1.00000
H4 H 0.07766 0.25116 0.21452 1.00000
H5 H 0.20736 0.77435 0.49689 1.00000
H6 H 0.63619 0.30811 0.21491 1.00000
H7 H 0.87689 0.43607 0.77854 1.00000
Mo1 Mo 0.28757 0.55109 0.63446 1.00000
Mo2 Mo 0.62754 0.99776 0.35937 1.00000
Ce1 Ce 0.00601 0.37111 0.99695 1.00000
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