Basic Information
Formula
Ce2NiGe3
MP-ID
mp-1102475
Elements
3
Sites
12
Density
7.2338
g/cm³
Volume
255.65
ų
Cell a
4.2940
Å
Cell b
8.2913
Å
Cell c
8.2913
Å
α Angle
120.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
P6/mmm
Point Group
6/mmm
Crystal System
Hexagonal
Bravais Lattice
hP
Stability
No
Packing Fraction
0.7405
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 |
|---|---|---|---|
| 24.80 | 3.5903 | 9.8 | (0,2,-2,0) |
| 24.80 | 3.5903 | 9.8 | (0,0,0,2) |
| 24.80 | 3.5902 | 9.8 | (0,2,-2,-2) |
| 32.51 | 2.7544 | 100.0 | (1,2,-3,0) |
| 32.51 | 2.7544 | 100.0 | (1,0,-1,2) |
| 32.51 | 2.7543 | 100.0 | (1,2,-3,-2) |
| 42.09 | 2.1470 | 44.2 | (2,0,-2,0) |
| 43.67 | 2.0729 | 39.2 | (0,2,-2,2) |
| 43.67 | 2.0728 | 39.2 | (0,4,-4,-2) |
| 43.67 | 2.0728 | 39.2 | (0,2,-2,-4) |
| 49.46 | 1.8427 | 3.1 | (2,2,-4,0) |
| 49.46 | 1.8427 | 3.1 | (2,0,-2,2) |
| 49.46 | 1.8427 | 3.1 | (2,2,-4,-2) |
| 50.87 | 1.7951 | 1.5 | (0,4,-4,0) |
| 50.87 | 1.7951 | 1.5 | (0,0,0,4) |
| 50.87 | 1.7951 | 1.5 | (0,4,-4,-4) |
| 55.48 | 1.6562 | 21.3 | (1,4,-5,0) |
| 55.48 | 1.6562 | 21.3 | (1,0,-1,4) |
| 55.48 | 1.6562 | 21.3 | (1,-4,3,4) |
| 62.26 | 1.4913 | 26.8 | (2,2,-4,2) |
| 62.26 | 1.4913 | 26.8 | (2,4,-6,-2) |
| 62.26 | 1.4913 | 26.8 | (2,-2,0,4) |
| 68.08 | 1.3772 | 1.3 | (2,4,-6,0) |
| 68.08 | 1.3772 | 1.3 | (2,0,-2,4) |
Energy Properties
Formation Energy/atom
-0.70955
eV/atom
Energy/atom
-5.96341
eV/atom
Energy above Hull
0.0083
eV/atom
Uncorrected Energy
-20.0225
eV/atom
Volume/atom
21.30
ų
c/a Ratio
1.9309
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
3.8961
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.015240
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Ge · 0.500
Element Family
N/A
Solute Fraction
0.500
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
B
Score
0.513
Family
Ge-rich Multi-Component
Matrix Element
Ge · 0.500
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1102475
Reference Citation
The crystal structure and related material properties of Ce2NiGe3 were obtained from the Materials Project database (MP-ID: mp-1102475, 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_Ce2NiGe3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.29404018
_cell_length_b 8.29127294
_cell_length_c 8.29126582
_cell_angle_alpha 119.99856013
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ce2NiGe3
_chemical_formula_sum 'Ce4 Ni2 Ge6'
_cell_volume 255.64958228
_cell_formula_units_Z 2
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 0.50000000 0.00001192 0.00001178 1.0
Ce Ce1 1 0.50000000 0.00001533 0.50039692 1.0
Ce Ce2 1 0.50000000 0.49961547 0.49961223 1.0
Ce Ce3 1 0.50000000 0.50040109 0.00002235 1.0
Ni Ni4 1 -0.00000000 0.66670202 0.33333244 1.0
Ni Ni5 1 0.00000000 0.33331135 0.66668196 1.0
Ge Ge6 1 -0.00000000 0.82739674 0.17282213 1.0
Ge Ge7 1 0.00000000 0.82720666 0.65456009 1.0
Ge Ge8 1 0.00000000 0.34545096 0.17261694 1.0
Ge Ge9 1 -0.00000000 0.17281211 0.82738542 1.0
Ge Ge10 1 -0.00000000 0.65456128 0.82720153 1.0
Ge Ge11 1 0.00000000 0.17261407 0.34545621 1.0
