Basic Information
Formula
GdCoC2
MP-ID
mp-1018146
Elements
3
Sites
4
Density
8.1344
g/cm³
Volume
49.04
ų
Cell a
3.6430
Å
Cell b
3.7467
Å
Cell c
3.7467
Å
α Angle
106.49
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
Amm2
Point Group
mm2
Crystal System
Orthorhombic
Bravais Lattice
oC
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 |
|---|---|---|---|
| 24.43 | 3.6430 | 13.2 | (1,0,0) |
| 24.78 | 3.5925 | 32.2 | (0,0,1) |
| 24.78 | 3.5925 | 32.2 | (0,1,0) |
| 29.76 | 3.0020 | 41.6 | (0,1,-1) |
| 35.08 | 2.5580 | 100.0 | (1,0,1) |
| 35.08 | 2.5580 | 100.0 | (1,1,0) |
| 38.87 | 2.3167 | 50.3 | (1,1,-1) |
| 40.23 | 2.2419 | 34.9 | (0,1,1) |
| 47.63 | 1.9093 | 9.9 | (1,1,1) |
| 49.90 | 1.8275 | 18.1 | (0,1,-2) |
| 49.90 | 1.8275 | 18.1 | (0,2,-1) |
| 50.08 | 1.8215 | 22.9 | (2,0,0) |
| 50.83 | 1.7963 | 12.9 | (0,0,2) |
| 50.83 | 1.7963 | 12.9 | (0,2,0) |
| 56.32 | 1.6335 | 9.2 | (1,1,-2) |
| 56.32 | 1.6335 | 9.2 | (1,2,-1) |
| 56.66 | 1.6246 | 7.3 | (2,0,1) |
| 56.66 | 1.6246 | 7.3 | (2,1,0) |
| 57.18 | 1.6111 | 14.0 | (1,0,2) |
| 57.18 | 1.6111 | 14.0 | (1,2,0) |
| 59.35 | 1.5573 | 12.5 | (2,1,-1) |
| 61.81 | 1.5010 | 2.4 | (0,2,-2) |
| 64.22 | 1.4503 | 3.3 | (0,1,2) |
| 64.22 | 1.4503 | 3.3 | (0,2,1) |
Energy Properties
Formation Energy/atom
-0.31224
eV/atom
Energy/atom
-10.23011
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-19.4710
eV/atom
Volume/atom
12.26
ų
c/a Ratio
1.0285
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
6.9865
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.142480
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
C · 0.500
Element Family
Metalloid-Nonmetal
Solute Fraction
0.500
Interstitial Fraction
0.500
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.0397
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
8.6442
J/mol·K
Ω Parameter
0.3267
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
37.006%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.5593
smaller = more stable mixing
VEC
5.000
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-72.747
kJ/mol; negative = exothermic mixing
Entropy Norm
0.9464
SS Former
0
Phase Tendency
AM
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1018146
Reference Citation
The crystal structure and related material properties of GdCoC2 were obtained from the Materials Project database (MP-ID: mp-1018146, 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_GdCoC2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.64299258
_cell_length_b 3.74669546
_cell_length_c 3.74671000
_cell_angle_alpha 106.49438719
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural GdCoC2
_chemical_formula_sum 'Gd1 Co1 C2'
_cell_volume 49.03501632
_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
Gd Gd0 1 0.00000000 0.00388928 0.99611528 1.0
Co Co1 1 0.50000000 0.38828488 0.61171208 1.0
C C2 1 0.50000000 0.84968994 0.45686678 1.0
C C3 1 0.50000000 0.54313290 0.15030686 1.0
