Ce10HN8
Alexandria ALEXAlex-ID: agm006570197 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB8C10_4_spg2
Ce6HN5 Ce CeN
2024-03-04 05:00:28.854300
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006570197).
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 agm006570197
data_agm006570197
_cell_length_a 6.14156
_cell_length_b 6.14191
_cell_length_c 9.38999
_cell_angle_alpha 71.14316
_cell_angle_beta 71.16473
_cell_angle_gamma 80.26940
_cell_volume 316.41173
_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 0.74645 0.35655 0.05171 1.00000
Ce2 Ce 0.25569 0.04919 0.15253 1.00000
Ce3 Ce 0.74431 0.95081 0.84747 1.00000
Ce4 Ce 0.25355 0.64345 0.94829 1.00000
Ce5 Ce 0.75573 0.54932 0.65244 1.00000
Ce6 Ce 0.24372 0.24393 0.75641 1.00000
Ce7 Ce 0.75318 0.14343 0.44844 1.00000
Ce8 Ce 0.24682 0.85657 0.55156 1.00000
Ce9 Ce 0.75628 0.75607 0.24359 1.00000
Ce10 Ce 0.24427 0.45068 0.34756 1.00000
H1 H 0.50000 0.50000 0.50000 1.00000
N1 N 0.00430 0.40171 0.20269 1.00000
N2 N 0.50566 0.69330 0.09908 1.00000
N3 N 0.99570 0.59829 0.79731 1.00000
N4 N 0.49434 0.30670 0.90092 1.00000
N5 N 0.00369 0.19420 0.59923 1.00000
N6 N 0.50438 0.90045 0.70266 1.00000
N7 N 0.99631 0.80580 0.40077 1.00000
N8 N 0.49562 0.09955 0.29734 1.00000
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