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Ce10HN8

Alexandria ALEX

Alex-ID: agm006570197 · Space group: P-1 (#2)

Basic Information

Formula
Ce10HN8
Alex-ID
agm006570197
Elements
3
Sites
19
Space group
P-1 (#2)
Crystal system
triclinic
Volume
316.41
ų
Cell a
6.1416
Å
Cell b
6.1419
Å
Cell c
9.3900
Å
α angle
71.14
°
β angle
71.16
°
γ angle
80.27
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ce10HN8
Ce
10.00 · 52.6%
H
1.00 · 5.3%
N
8.00 · 42.1%

Energy & Stability

Energy above hull
0.0237
eV/atom
Formation energy
-1.4445
eV/atom
Corrected total energy
-153.6437
eV
Raw total energy
-153.6437
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
23.4214
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB8C10_4_spg2

Decomposition

Ce6HN5 Ce CeN

Computed at

2024-03-04 05:00:28.854300

Citation

Alexandria website
https://alexandria.icams.rub.de/
Attribution

The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006570197).

Reference

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

BibTeX
@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…

Style: Ball & Stick
Raw CIF Data
# 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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