Basic Information
Formula
ErCoC
MP-ID
mp-8475
Elements
3
Sites
6
Density
8.9957
g/cm³
Volume
87.94
ų
Cell a
3.6086
Å
Cell b
3.6086
Å
Cell c
6.7534
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
P4_2/mmc
Point Group
4/mmm
Crystal System
Tetragonal
Bravais Lattice
tP
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 |
|---|---|---|---|
| 24.67 | 3.6086 | 27.4 | (0,1,0) |
| 24.67 | 3.6086 | 27.4 | (1,0,0) |
| 26.39 | 3.3767 | 18.1 | (0,0,2) |
| 35.17 | 2.5516 | 100.0 | (1,1,0) |
| 36.44 | 2.4656 | 99.8 | (0,1,2) |
| 36.44 | 2.4656 | 99.8 | (1,0,2) |
| 44.50 | 2.0358 | 28.5 | (1,1,2) |
| 50.59 | 1.8043 | 20.9 | (0,2,0) |
| 50.59 | 1.8043 | 20.9 | (2,0,0) |
| 54.34 | 1.6884 | 16.8 | (0,0,4) |
| 57.07 | 1.6138 | 6.0 | (1,2,0) |
| 57.07 | 1.6138 | 6.0 | (2,1,0) |
| 57.95 | 1.5914 | 4.9 | (0,2,2) |
| 57.95 | 1.5914 | 4.9 | (2,0,2) |
| 60.55 | 1.5293 | 5.1 | (0,1,4) |
| 60.55 | 1.5293 | 5.1 | (1,0,4) |
| 63.94 | 1.4561 | 37.7 | (1,2,2) |
| 63.94 | 1.4561 | 37.7 | (2,1,2) |
| 66.39 | 1.4080 | 31.3 | (1,1,4) |
| 74.35 | 1.2758 | 12.9 | (2,2,0) |
| 77.41 | 1.2328 | 11.5 | (0,2,4) |
| 77.41 | 1.2328 | 11.5 | (2,0,4) |
| 79.72 | 1.2029 | 1.2 | (0,3,0) |
| 79.72 | 1.2029 | 1.2 | (3,0,0) |
Energy Properties
Formation Energy/atom
-0.33084
eV/atom
Energy/atom
-7.30821
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-19.4233
eV/atom
Volume/atom
14.66
ų
c/a Ratio
1.8715
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
2.1353
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.024280
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Er · 0.333
Element Family
Lanthanide
Solute Fraction
0.667
Interstitial Fraction
0.333
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.0986
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
9.1339
J/mol·K
Ω Parameter
1.2058
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
31.839%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.5349
smaller = more stable mixing
VEC
8.333
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-18.667
kJ/mol; negative = exothermic mixing
Entropy Norm
1.0000
SS Former
0
Phase Tendency
AM
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-8475
Reference Citation
The crystal structure and related material properties of ErCoC were obtained from the Materials Project database (MP-ID: mp-8475, 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_ErCoC
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.60855359
_cell_length_b 3.60857094
_cell_length_c 6.75344449
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ErCoC
_chemical_formula_sum 'Er2 Co2 C2'
_cell_volume 87.94147413
_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 0.00000000 0.00000000 0.74996757 1.0
Er Er1 1 0.00000000 0.00000000 0.25003243 1.0
Co Co2 1 0.50000000 0.50000000 -0.00000000 1.0
Co Co3 1 0.50000000 0.50000000 0.50000000 1.0
C C4 1 0.50000000 0.00000000 0.50000000 1.0
C C5 1 0.00000000 0.50000000 -0.00000000 1.0
