Basic Information
Formula
Er5Ge3C
MP-ID
mp-1105712
Elements
3
Sites
18
Density
9.1432
g/cm³
Volume
387.29
ų
Cell a
8.3656
Å
Cell b
8.3656
Å
Cell c
6.3901
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 |
|---|---|---|---|
| 12.22 | 7.2448 | 1.3 | (1,0,-1,0) |
| 21.24 | 4.1828 | 5.1 | (1,1,-2,0) |
| 21.24 | 4.1828 | 10.3 | (2,-1,-1,0) |
| 24.58 | 3.6224 | 7.4 | (2,0,-2,0) |
| 24.58 | 3.6224 | 3.7 | (2,-2,0,0) |
| 25.45 | 3.4997 | 6.9 | (2,-1,-1,-1) |
| 25.45 | 3.4997 | 3.4 | (2,-1,-1,1) |
| 27.92 | 3.1951 | 15.9 | (0,0,0,2) |
| 30.58 | 2.9234 | 47.2 | (1,0,-1,2) |
| 30.58 | 2.9234 | 9.4 | (1,-1,0,2) |
| 32.70 | 2.7383 | 43.6 | (3,-1,-2,0) |
| 32.70 | 2.7383 | 21.8 | (3,-2,-1,0) |
| 35.35 | 2.5391 | 66.1 | (2,-1,-1,-2) |
| 35.35 | 2.5391 | 33.1 | (2,-1,-1,2) |
| 35.67 | 2.5169 | 50.0 | (3,-1,-2,-1) |
| 35.67 | 2.5169 | 100.0 | (3,-1,-2,1) |
| 37.23 | 2.4149 | 18.7 | (3,0,-3,0) |
| 37.23 | 2.4149 | 9.4 | (3,-3,0,0) |
| 37.54 | 2.3962 | 5.7 | (2,0,-2,2) |
| 37.54 | 2.3962 | 1.1 | (2,-2,0,2) |
| 43.26 | 2.0914 | 2.8 | (4,-2,-2,0) |
| 43.53 | 2.0792 | 1.6 | (3,-1,-2,-2) |
| 45.12 | 2.0094 | 2.3 | (3,1,-4,0) |
| 45.12 | 2.0094 | 4.6 | (4,-1,-3,0) |
Energy Properties
Formation Energy/atom
-0.73836
eV/atom
Energy/atom
-5.84266
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-25.4511
eV/atom
Volume/atom
21.52
ų
c/a Ratio
0.7639
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
0.0438
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.000110
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Er · 0.556
Element Family
Lanthanide
Solute Fraction
0.444
Interstitial Fraction
0.111
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
0.9369
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
7.7893
J/mol·K
Ω Parameter
5.2454
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
22.911%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.4760
smaller = more stable mixing
VEC
8.444
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-2.717
kJ/mol; negative = exothermic mixing
Entropy Norm
0.8528
SS Former
0
Phase Tendency
IM
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1105712
Reference Citation
The crystal structure and related material properties of Er5Ge3C were obtained from the Materials Project database (MP-ID: mp-1105712, 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_Er5Ge3C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.36558664
_cell_length_b 8.36558664
_cell_length_c 6.39010124
_cell_angle_alpha 89.99998481
_cell_angle_beta 90.00001519
_cell_angle_gamma 119.99999210
_symmetry_Int_Tables_number 1
_chemical_formula_structural Er5Ge3C
_chemical_formula_sum 'Er10 Ge6 C2'
_cell_volume 387.28547397
_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
Er Er0 1 0.66666500 0.33333300 -0.00000501 1.0
Er Er1 1 0.33333500 0.66666900 -0.00000501 1.0
Er Er2 1 0.33333500 0.66666900 0.50000601 1.0
Er Er3 1 0.66666500 0.33333300 0.50000601 1.0
Er Er4 1 0.78010471 0.78010571 0.75000000 1.0
Er Er5 1 0.21989529 0.00000100 0.75000000 1.0
Er Er6 1 -0.00000000 0.21989329 0.75000000 1.0
Er Er7 1 0.21990005 0.21989905 0.25000000 1.0
Er Er8 1 0.78009995 0.99999900 0.25000000 1.0
Er Er9 1 0.00000000 0.78010095 0.25000000 1.0
Ge Ge10 1 0.40860529 0.40860529 0.75000000 1.0
Ge Ge11 1 0.59139471 0.00000000 0.75000000 1.0
Ge Ge12 1 0.00000000 0.59139471 0.75000000 1.0
Ge Ge13 1 0.59139451 0.59139351 0.25000000 1.0
Ge Ge14 1 0.40860549 -0.00000000 0.25000000 1.0
Ge Ge15 1 -0.00000000 0.40860549 0.25000000 1.0
C C16 1 -0.00000000 0.00000000 -0.00000104 1.0
C C17 1 0.00000000 -0.00000000 0.50000104 1.0
