Basic Information
Formula
Lu5Ge3C
MP-ID
mp-1105603
Elements
3
Sites
18
Density
9.9502
g/cm³
Volume
368.74
ų
Cell a
8.2358
Å
Cell b
8.2358
Å
Cell c
6.2773
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.00
°
Space Group
P6_3/mcm
Point Group
6/mmm
Crystal System
Hexagonal
Bravais Lattice
hP
Stability
Yes
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 |
|---|---|---|---|
| 12.41 | 7.1324 | 1.1 | (1,0,-1,0) |
| 21.58 | 4.1179 | 11.4 | (2,-1,-1,0) |
| 24.97 | 3.5662 | 8.0 | (2,0,-2,0) |
| 25.88 | 3.4432 | 7.7 | (2,-1,-1,1) |
| 28.44 | 3.1387 | 10.3 | (0,0,0,2) |
| 31.13 | 2.8728 | 39.5 | (1,0,-1,2) |
| 33.23 | 2.6958 | 44.6 | (3,-1,-2,0) |
| 35.98 | 2.4962 | 65.4 | (2,-1,-1,2) |
| 36.27 | 2.4770 | 100.0 | (3,-1,-2,1) |
| 37.84 | 2.3775 | 18.2 | (3,0,-3,0) |
| 38.20 | 2.3561 | 4.4 | (2,0,-2,2) |
| 43.98 | 2.0590 | 1.8 | (4,-2,-2,0) |
| 44.29 | 2.0450 | 1.6 | (3,-1,-2,2) |
| 45.87 | 1.9782 | 4.6 | (4,-1,-3,0) |
| 46.41 | 1.9564 | 12.0 | (4,-2,-2,1) |
| 48.01 | 1.8952 | 7.5 | (3,0,-3,2) |
| 48.82 | 1.8654 | 1.5 | (2,-1,-1,3) |
| 51.23 | 1.7831 | 2.2 | (4,0,-4,0) |
| 53.20 | 1.7216 | 21.1 | (4,-2,-2,2) |
| 54.86 | 1.6735 | 2.1 | (4,-1,-3,2) |
| 55.60 | 1.6530 | 29.3 | (3,-1,-2,3) |
| 56.22 | 1.6363 | 1.7 | (5,-2,-3,0) |
| 58.27 | 1.5834 | 1.9 | (5,-2,-3,1) |
| 58.84 | 1.5693 | 10.7 | (0,0,0,4) |
Energy Properties
Formation Energy/atom
-0.74358
eV/atom
Energy/atom
-5.82231
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-27.7674
eV/atom
Volume/atom
20.49
ų
c/a Ratio
0.7622
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
0.0005
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
Lu · 0.556
Element Family
N/A
Solute Fraction
0.444
Interstitial Fraction
0.111
ROM Blended-Feature Radar
Rating & Classification
Tier
B
Score
0.563
Family
Interstitial Alloy
Matrix Element
Lu · 0.556
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1105603
Reference Citation
The crystal structure and related material properties of Lu5Ge3C were obtained from the Materials Project database (MP-ID: mp-1105603, 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_Lu5Ge3C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.23580277
_cell_length_b 8.23580277
_cell_length_c 6.27731558
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000038
_symmetry_Int_Tables_number 1
_chemical_formula_structural Lu5Ge3C
_chemical_formula_sum 'Lu10 Ge6 C2'
_cell_volume 368.73678732
_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
Lu Lu0 1 0.66666700 0.33333300 0.50000000 1.0
Lu Lu1 1 0.33333300 0.66666700 0.50000000 1.0
Lu Lu2 1 0.33333300 0.66666700 0.00000000 1.0
Lu Lu3 1 0.66666700 0.33333300 0.00000000 1.0
Lu Lu4 1 0.78096484 0.78096484 0.24999900 1.0
Lu Lu5 1 0.21903516 0.00000000 0.24999900 1.0
Lu Lu6 1 0.00000000 0.21903516 0.24999900 1.0
Lu Lu7 1 0.21903516 0.21903516 0.75000100 1.0
Lu Lu8 1 0.78096484 -0.00000000 0.75000100 1.0
Lu Lu9 1 -0.00000000 0.78096484 0.75000100 1.0
Ge Ge10 1 0.40882999 0.40882999 0.25000000 1.0
Ge Ge11 1 0.59117001 0.00000000 0.25000000 1.0
Ge Ge12 1 0.00000000 0.59117001 0.25000000 1.0
Ge Ge13 1 0.59117001 0.59117001 0.75000000 1.0
Ge Ge14 1 0.40882999 -0.00000000 0.75000000 1.0
Ge Ge15 1 -0.00000000 0.40882999 0.75000000 1.0
C C16 1 -0.00000000 -0.00000000 0.50000000 1.0
C C17 1 -0.00000000 -0.00000000 0.00000000 1.0
