Basic Information
Formula
Nd(CuGe)2
MP-ID
mp-3177
Elements
3
Sites
5
Density
7.9510
g/cm³
Volume
87.01
ų
Cell a
4.1374
Å
Cell b
4.1374
Å
Cell c
5.8647
Å
α Angle
110.66
°
β Angle
110.66
°
γ Angle
90.00
°
Space Group
I4/mmm
Point Group
4/mmm
Crystal System
Tetragonal
Bravais Lattice
tI
Stability
Yes
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 |
|---|---|---|---|
| 23.21 | 3.8322 | 5.7 | (1,0,0) |
| 30.56 | 2.9256 | 26.7 | (1,-1,0) |
| 34.20 | 2.6215 | 100.0 | (1,0,1) |
| 35.32 | 2.5414 | 6.5 | (0,0,2) |
| 35.40 | 2.5356 | 30.3 | (1,-1,1) |
| 35.40 | 2.5356 | 91.0 | (1,-1,-1) |
| 43.76 | 2.0687 | 76.5 | (2,0,-1) |
| 47.38 | 1.9186 | 6.5 | (1,-1,2) |
| 47.38 | 1.9186 | 6.5 | (1,-1,-2) |
| 49.98 | 1.8247 | 9.0 | (1,0,2) |
| 49.98 | 1.8247 | 27.1 | (0,1,2) |
| 56.68 | 1.6240 | 11.6 | (1,-2,2) |
| 56.68 | 1.6240 | 23.2 | (1,-2,-1) |
| 56.68 | 1.6240 | 11.6 | (2,1,-3) |
| 57.44 | 1.6044 | 4.6 | (2,0,1) |
| 57.44 | 1.6044 | 1.5 | (2,0,-3) |
| 63.45 | 1.4662 | 14.5 | (1,-1,3) |
| 63.45 | 1.4662 | 4.8 | (1,1,-4) |
| 63.61 | 1.4628 | 12.1 | (2,-2,0) |
| 63.61 | 1.4628 | 12.1 | (2,2,-2) |
| 68.58 | 1.3684 | 6.9 | (2,-1,2) |
| 68.58 | 1.3684 | 10.4 | (2,1,1) |
| 68.58 | 1.3684 | 10.4 | (2,-1,-3) |
| 72.20 | 1.3084 | 1.2 | (1,-3,1) |
Energy Properties
Formation Energy/atom
-0.58899
eV/atom
Energy/atom
-16.36010
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-16.3601
eV/atom
Volume/atom
17.40
ų
c/a Ratio
1.4175
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
0.0000
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Cu · 0.400
Element Family
N/A
Solute Fraction
0.600
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
B
Score
0.633
Family
Cu-rich Multi-Component
Matrix Element
Cu · 0.400
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3177
Reference Citation
The crystal structure and related material properties of Nd(CuGe)2 were obtained from the Materials Project database (MP-ID: mp-3177, 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_Nd(CuGe)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.13741014
_cell_length_b 4.13741052
_cell_length_c 5.86464595
_cell_angle_alpha 110.65509812
_cell_angle_beta 110.65508661
_cell_angle_gamma 90.00000961
_symmetry_Int_Tables_number 1
_chemical_formula_structural Nd(CuGe)2
_chemical_formula_sum 'Nd1 Cu2 Ge2'
_cell_volume 87.00844098
_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
Nd Nd0 1 -0.00000000 0.00000000 0.00000000 1.0
Cu Cu1 1 0.25000000 0.75000000 0.50000000 1.0
Cu Cu2 1 0.75000000 0.25000000 0.50000000 1.0
Ge Ge3 1 0.62350021 0.62350021 0.24699942 1.0
Ge Ge4 1 0.37649979 0.37649979 0.75300058 1.0
