YbCoC2

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1067743 · Space group: Amm2 (#38)

Materials Project API

Basic Information

Formula

YbCoC2

MP-ID

mp-1067743

Elements

Sites

Density

9.3814

g/cm³

Volume

45.31

Å³

Cell a

3.7017

Cell b

3.7017

Cell c

3.4417

α Angle

90.00

β Angle

90.00

γ Angle

106.09

Space Group

Amm2

Point Group

mm2

Crystal System

Orthorhombic

Bravais Lattice

Stability

Yes

Packing Fraction

X-ray Diffraction

Diffraction Pattern

Target / Radiation

X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å

Diffraction Peaks (Top 24)

2θ	d (Å)	I	hkl
25.04	3.5567	39.2	(1,0,0)
25.89	3.4417	8.3	(0,0,1)
30.21	2.9580	22.8	(1,-1,0)
36.32	2.4733	100.0	(1,0,1)
40.20	2.2433	26.2	(1,-1,1)
40.54	2.2254	18.8	(1,1,0)
48.73	1.8688	6.0	(1,1,1)
50.63	1.8030	19.2	(2,-1,0)
51.38	1.7784	14.0	(2,0,0)
53.23	1.7208	10.4	(0,0,2)
57.72	1.5971	10.2	(2,-1,1)
58.41	1.5799	15.1	(2,0,1)
59.69	1.5491	7.8	(1,0,2)
62.43	1.4874	6.2	(1,-1,2)
62.83	1.4790	1.5	(2,-2,0)
64.78	1.4391	3.8	(2,1,0)
68.99	1.3613	7.7	(1,1,2)
69.13	1.3589	7.9	(2,-2,1)
70.99	1.3277	13.2	(2,1,1)
76.53	1.2448	11.0	(2,-1,2)
77.13	1.2367	8.3	(2,0,2)
77.49	1.2318	1.5	(3,-1,0)
81.12	1.1856	3.8	(3,0,0)
83.32	1.1598	9.7	(3,-1,1)

Get direct link

Energy Properties

Formation Energy/atom

-0.42732

eV/atom

Energy/atom

-17.84184

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-17.8418

eV/atom

Volume/atom

11.33

Å³

c/a Ratio

0.9298

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0000

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

C · 0.500

Element Family

Metalloid-Nonmetal

Solute Fraction

0.500

Interstitial Fraction

0.500

High-Entropy Alloy Features

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

1.0817

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

35.732%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.5975

smaller = more stable mixing

VEC

7.750

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-21.000

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9464

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.469

Family

Interstitial Alloy

Matrix Element

C · 0.500

Related Tasks

Related computation task IDs (5)

aaacitpv aaadrlni aaaeusnb aaafjkfn aaahbama

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1067743

Reference Citation

The crystal structure and related material properties of YbCoC2 were obtained from the Materials Project database (MP-ID: mp-1067743, 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

Loading 3D structure…

Style: Ball & Stick | Drag to rotate · Scroll to zoom · Right-click to pan

Raw CIF Data

# generated using pymatgen
data_YbCoC2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.70168549
_cell_length_b   3.70168549
_cell_length_c   3.44166564
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   106.08935977
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YbCoC2
_chemical_formula_sum   'Yb1 Co1 C2'
_cell_volume   45.31213779
_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
  Yb  Yb0  1  0.99625641  0.00374359  0.00000000  1.0
  Co  Co1  1  0.61288159  0.38711841  0.50000000  1.0
  C  C2  1  0.45752977  0.85166776  0.50000000  1.0
  C  C3  1  0.14833224  0.54247023  0.50000000  1.0

Get direct link