Basic Information
Formula
Er(CoGe)6
MP-ID
mp-1103894
Elements
3
Sites
13
Density
9.0939
g/cm³
Volume
174.69
ų
Cell a
5.0690
Å
Cell b
5.0690
Å
Cell c
7.8505
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.00
°
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 |
|---|---|---|---|
| 11.27 | 7.8505 | 9.1 | (0,0,0,1) |
| 20.23 | 4.3899 | 1.1 | (1,-1,0,0) |
| 23.21 | 3.8315 | 7.3 | (1,-1,0,1) |
| 23.21 | 3.8315 | 3.7 | (1,0,-1,1) |
| 30.55 | 2.9261 | 5.9 | (1,0,-1,2) |
| 34.27 | 2.6168 | 10.4 | (0,0,0,3) |
| 35.42 | 2.5345 | 71.0 | (2,-1,-1,0) |
| 37.28 | 2.4119 | 3.3 | (2,-1,-1,1) |
| 40.12 | 2.2478 | 26.9 | (1,-1,0,3) |
| 40.12 | 2.2478 | 13.5 | (1,0,-1,3) |
| 41.12 | 2.1949 | 36.8 | (2,-2,0,0) |
| 41.12 | 2.1949 | 18.4 | (2,0,-2,0) |
| 42.45 | 2.1292 | 100.0 | (2,-1,-1,2) |
| 42.78 | 2.1139 | 1.5 | (2,-2,0,1) |
| 46.26 | 1.9626 | 24.0 | (0,0,0,4) |
| 47.46 | 1.9158 | 41.9 | (2,0,-2,2) |
| 50.11 | 1.8206 | 21.2 | (2,-1,-1,3) |
| 50.97 | 1.7917 | 9.3 | (1,0,-1,4) |
| 54.57 | 1.6817 | 16.4 | (2,0,-2,3) |
| 56.70 | 1.6234 | 1.0 | (2,-3,1,1) |
| 56.70 | 1.6234 | 1.0 | (3,-1,-2,1) |
| 59.58 | 1.5518 | 7.4 | (2,-1,-1,4) |
| 60.59 | 1.5283 | 1.3 | (3,-1,-2,2) |
| 62.86 | 1.4784 | 2.2 | (1,0,-1,5) |
Energy Properties
Formation Energy/atom
-0.34021
eV/atom
Energy/atom
-6.11763
eV/atom
Energy above Hull
0.0145
eV/atom
Uncorrected Energy
-6.1176
eV/atom
Volume/atom
13.44
ų
c/a Ratio
1.5487
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0445
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000250
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Co · 0.462
Element Family
N/A
Solute Fraction
0.538
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
B
Score
0.682
Family
Co-based Alloy
Matrix Element
Co · 0.462
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1103894
Reference Citation
The crystal structure and related material properties of Er(CoGe)6 were obtained from the Materials Project database (MP-ID: mp-1103894, 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_Er(CoGe)6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.06898700
_cell_length_b 5.06898767
_cell_length_c 7.85052600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000214
_symmetry_Int_Tables_number 1
_chemical_formula_structural Er(CoGe)6
_chemical_formula_sum 'Er1 Co6 Ge6'
_cell_volume 174.69150684
_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
Er Er0 1 0.00000000 0.00000000 0.00000000 1.0
Co Co1 1 0.50000000 0.50000000 0.74994800 1.0
Co Co2 1 0.50000000 0.00000000 0.74994800 1.0
Co Co3 1 0.00000000 0.50000000 0.74994800 1.0
Co Co4 1 0.50000000 0.50000000 0.25005200 1.0
Co Co5 1 0.50000000 0.00000000 0.25005200 1.0
Co Co6 1 0.00000000 0.50000000 0.25005200 1.0
Ge Ge7 1 0.66666700 0.33333300 0.00000000 1.0
Ge Ge8 1 0.33333300 0.66666700 0.00000000 1.0
Ge Ge9 1 0.66666700 0.33333300 0.50000000 1.0
Ge Ge10 1 0.33333300 0.66666700 0.50000000 1.0
Ge Ge11 1 0.00000000 0.00000000 0.65561800 1.0
Ge Ge12 1 0.00000000 0.00000000 0.34438200 1.0
