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CeMgGe2Rh

Alexandria ALEX

Alex-ID: agm048134635 · Space group: I-4m2 (#119)

Basic Information

Formula
CeMgGe2Rh
Alex-ID
agm048134635
Elements
4
Sites
5
Space group
I-4m2 (#119)
Crystal system
tetragonal
Volume
95.68
ų
Cell a
6.3380
Å
Cell b
6.3380
Å
Cell c
6.3380
Å
α angle
142.03
°
β angle
142.03
°
γ angle
54.78
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
CeMgGe2Rh
Ce
1.00 · 20.0%
Mg
1.00 · 20.0%
Ge
2.00 · 40.0%
Rh
1.00 · 20.0%

Energy & Stability

Energy above hull
0.0122
eV/atom
Formation energy
-0.6844
eV/atom
Corrected total energy
-27.5368
eV
Raw total energy
-27.5368
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
4.9893
Total magnetisation
0.5667
μB

Additional Information

Prototype ID

ABCD2_152_spg1

Decomposition

Mg2GeRh Ce(MgGe)2 CeGeRh CeGe2Rh

Computed at

2025-04-13 23:21:37

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: agm048134635).

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 agm048134635
data_agm048134635
_cell_length_a     6.33796
_cell_length_b     6.33796
_cell_length_c     6.33796
_cell_angle_alpha  142.03235
_cell_angle_beta   142.03235
_cell_angle_gamma  54.78007
_cell_volume       95.68438
_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 0.25000 0.75000 0.50000 1.00000
  Mg1 Mg 0.50000 0.50000 0.00000 1.00000
  Ge1 Ge 0.63982 0.13982 0.50000 1.00000
  Ge2 Ge 0.86018 0.36018 0.50000 1.00000
  Rh1 Rh 0.00000 0.00000 0.00000 1.00000
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