Basic Information
Formula
Er2Co3Ge5
MP-ID
mp-1006352
Elements
3
Sites
20
Density
9.2075
g/cm³
Volume
315.43
ų
Cell a
7.9889
Å
Cell b
7.9889
Å
Cell c
5.6839
Å
α Angle
70.47
°
β Angle
70.47
°
γ Angle
93.98
°
Space Group
C2/c
Point Group
2/m
Crystal System
Monoclinic
Bravais Lattice
mC
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 |
|---|---|---|---|
| 18.68 | 4.7501 | 3.6 | (1,1,0) |
| 23.55 | 3.7784 | 17.4 | (1,-1,1) |
| 24.00 | 3.7085 | 12.9 | (2,0,1) |
| 30.61 | 2.9208 | 18.4 | (2,-2,0) |
| 31.50 | 2.8401 | 21.2 | (1,1,2) |
| 33.36 | 2.6862 | 3.6 | (2,-1,-1) |
| 34.01 | 2.6360 | 4.2 | (3,0,1) |
| 35.46 | 2.5317 | 47.3 | (2,0,-1) |
| 35.68 | 2.5161 | 9.4 | (2,-2,1) |
| 35.99 | 2.4951 | 11.1 | (3,-1,1) |
| 36.10 | 2.4881 | 98.1 | (3,-1,0) |
| 36.26 | 2.4771 | 71.4 | (0,0,2) |
| 36.39 | 2.4692 | 61.0 | (3,1,1) |
| 36.57 | 2.4570 | 9.0 | (3,0,0) |
| 37.47 | 2.3999 | 51.1 | (2,2,2) |
| 37.88 | 2.3751 | 24.4 | (2,2,0) |
| 39.72 | 2.2690 | 1.2 | (3,-2,0) |
| 40.16 | 2.2455 | 6.9 | (2,-1,2) |
| 40.72 | 2.2159 | 8.8 | (3,0,2) |
| 41.40 | 2.1808 | 10.2 | (2,1,-1) |
| 42.49 | 2.1275 | 11.6 | (3,2,1) |
| 44.28 | 2.0455 | 1.0 | (3,2,2) |
| 44.50 | 2.0362 | 100.0 | (3,-1,2) |
| 44.76 | 2.0247 | 4.4 | (3,-1,-1) |
Energy Properties
Formation Energy/atom
-0.56512
eV/atom
Energy/atom
-5.93020
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-18.2255
eV/atom
Volume/atom
15.77
ų
c/a Ratio
0.7115
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
2.5024
μB
Mag. Ordering
FM
Mag. Sites
6
Magnetization/Volume
0.007930
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Ge · 0.500
Element Family
PostTransition-Noble
Solute Fraction
0.500
Interstitial Fraction
0.000
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.0297
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
8.5605
J/mol·K
Ω Parameter
6.1761
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
14.815%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.2939
smaller = more stable mixing
VEC
7.100
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
2.074
kJ/mol; negative = exothermic mixing
Entropy Norm
0.9372
SS Former
0
Phase Tendency
IM
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1006352
Reference Citation
The crystal structure and related material properties of Er2Co3Ge5 were obtained from the Materials Project database (MP-ID: mp-1006352, 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_Er2Co3Ge5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.98887451
_cell_length_b 7.98887451
_cell_length_c 5.68388218
_cell_angle_alpha 70.46645764
_cell_angle_beta 70.46645764
_cell_angle_gamma 93.97584587
_symmetry_Int_Tables_number 1
_chemical_formula_structural Er2Co3Ge5
_chemical_formula_sum 'Er4 Co6 Ge10'
_cell_volume 315.43172347
_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 0.40515913 0.12725805 0.73288220 1.0
Er Er1 1 0.12725805 0.40515913 0.23288220 1.0
Er Er2 1 0.59484087 0.87274195 0.26711780 1.0
Er Er3 1 0.87274195 0.59484087 0.76711780 1.0
Co Co4 1 0.00415143 0.99584857 0.75000000 1.0
Co Co5 1 0.99584857 0.00415143 0.25000000 1.0
Co Co6 1 0.73797137 0.45754514 0.37950500 1.0
Co Co7 1 0.45754514 0.73797137 0.87950500 1.0
Co Co8 1 0.26202863 0.54245486 0.62049500 1.0
Co Co9 1 0.54245486 0.26202863 0.12049500 1.0
Ge Ge10 1 0.26199438 0.07657851 0.32601524 1.0
Ge Ge11 1 0.92342149 0.73800562 0.17398476 1.0
Ge Ge12 1 0.73800562 0.92342149 0.67398476 1.0
Ge Ge13 1 0.07657851 0.26199438 0.82601524 1.0
Ge Ge14 1 0.21545674 0.78454326 0.75000000 1.0
Ge Ge15 1 0.78454326 0.21545674 0.25000000 1.0
Ge Ge16 1 0.50959360 0.49040640 0.75000000 1.0
Ge Ge17 1 0.49040640 0.50959360 0.25000000 1.0
Ge Ge18 1 0.77070756 0.22929244 0.75000000 1.0
Ge Ge19 1 0.22929244 0.77070756 0.25000000 1.0
