CeGe5
Traditional Materials TRAMP-ID: mp-984703 · Space group: Immm (#71)
Basic Information
Formula
CeGe5
MP-ID
mp-984703
Elements
2
Sites
6
Density
6.9374
g/cm³
Volume
120.47
ų
Cell a
6.1590
Å
Cell b
6.1561
Å
Cell c
6.1561
Å
α Angle
142.54
°
β Angle
120.13
°
γ Angle
72.72
°
Space Group
Immm
Point Group
mmm
Crystal System
Orthorhombic
Bravais Lattice
oI
Stability
No
Packing Fraction
-
X-ray Diffraction
Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 24)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 16.96 | 5.2268 | 1.2 | (1,0,0) |
| 16.98 | 5.2207 | 1.2 | (0,1,-1) |
| 17.89 | 4.9586 | 5.1 | (1,1,-1) |
| 24.23 | 3.6739 | 5.0 | (0,1,0) |
| 24.24 | 3.6710 | 4.9 | (1,0,-1) |
| 26.79 | 3.3276 | 17.2 | (0,0,1) |
| 26.84 | 3.3222 | 17.2 | (1,-1,0) |
| 30.69 | 2.9129 | 12.1 | (2,1,-1) |
| 30.73 | 2.9097 | 12.1 | (1,2,-2) |
| 34.31 | 2.6134 | 51.0 | (2,0,0) |
| 34.35 | 2.6104 | 50.7 | (0,2,-2) |
| 35.37 | 2.5374 | 100.0 | (1,2,-1) |
| 35.41 | 2.5346 | 99.7 | (2,1,-2) |
| 36.23 | 2.4793 | 3.0 | (2,2,-2) |
| 38.14 | 2.3595 | 34.4 | (1,0,1) |
| 38.17 | 2.3576 | 34.5 | (0,1,-2) |
| 38.22 | 2.3549 | 34.3 | (2,-1,0) |
| 38.23 | 2.3545 | 34.2 | (1,-2,1) |
| 45.19 | 2.0066 | 5.6 | (2,-1,1) |
| 45.21 | 2.0056 | 5.6 | (1,-2,2) |
| 45.91 | 1.9768 | 47.8 | (1,-1,-1) |
| 47.07 | 1.9308 | 16.9 | (3,1,-1) |
| 47.13 | 1.9283 | 16.8 | (1,3,-3) |
| 50.12 | 1.8202 | 3.7 | (1,-1,2) |
Energy Properties
Formation Energy/atom
-0.29643
eV/atom
Energy/atom
-5.13844
eV/atom
Energy above Hull
0.0089
eV/atom
Uncorrected Energy
-16.9641
eV/atom
Volume/atom
20.08
ų
c/a Ratio
0.9995
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
0.4187
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.003480
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Ge · 0.833
Element Family
N/A
Solute Fraction
0.167
Interstitial Fraction
0.000
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.706
Family
Binary Alloy
Matrix Element
Ge · 0.833
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-984703
Reference Citation
The crystal structure and related material properties of CeGe5 were obtained from the Materials Project database (MP-ID: mp-984703, database version v2026.04.13).
Literature Citation
Horton, M.K., Huck, P., Yang, R.X. et al. Accelerated data-driven materials science with the Materials Project. Nat. Mater. 24, 1522–1532 (2025). https://doi.org/10.1038/s41563-025-02272-0
3D Crystal Structure Rendering
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Raw CIF Data
# generated using pymatgen
data_CeGe5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.15897993
_cell_length_b 6.15610610
_cell_length_c 6.15608984
_cell_angle_alpha 142.54043312
_cell_angle_beta 120.13007390
_cell_angle_gamma 72.72237464
_symmetry_Int_Tables_number 1
_chemical_formula_structural CeGe5
_chemical_formula_sum 'Ce1 Ge5'
_cell_volume 120.47485402
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ce Ce0 1 0.00000000 0.00000000 -0.00000000 1.0
Ge Ge1 1 0.12451738 0.32889291 0.79510950 1.0
Ge Ge2 1 0.53378183 0.32902181 0.20430967 1.0
Ge Ge3 1 0.46621717 0.67097819 0.79569133 1.0
Ge Ge4 1 0.87548262 0.67110809 0.20489050 1.0
Ge Ge5 1 0.50000000 0.99999900 0.49999900 1.0
