CeMnH6
Alexandria ALEXAlex-ID: agm076282706 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC6_32_spg2
CeMnH5 H2
2025-06-26 02:15:11
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm076282706).
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 agm076282706
data_agm076282706
_cell_length_a 4.60375
_cell_length_b 4.23615
_cell_length_c 4.90145
_cell_angle_alpha 52.14148
_cell_angle_beta 61.98762
_cell_angle_gamma 57.08222
_cell_volume 62.00231
_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
Ce1 Ce 0.62359 0.14349 0.60917 1.00000
Mn1 Mn 0.90864 0.03642 0.14632 1.00000
H1 H 0.04100 0.42651 0.93177 1.00000
H2 H 0.12593 0.94893 0.79926 1.00000
H3 H 0.60062 0.42645 0.93180 1.00000
H4 H 0.27780 0.86876 0.22530 1.00000
H5 H 0.62859 0.86830 0.22502 1.00000
H6 H 0.04383 0.53113 0.38136 1.00000
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