Basic Information
Formula
YC
MP-ID
mp-998893
Elements
2
Sites
2
Density
5.0718
g/cm³
Volume
33.04
ų
Cell a
3.6018
Å
Cell b
3.6018
Å
Cell c
3.6018
Å
α Angle
60.00
°
β Angle
60.00
°
γ Angle
60.00
°
Space Group
Fm-3m
Point Group
m-3m
Crystal System
Cubic
Bravais Lattice
cF
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 8)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 30.39 | 2.9409 | 100.0 | (1,1,1) |
| 35.24 | 2.5469 | 81.3 | (1,1,0) |
| 50.69 | 1.8009 | 54.2 | (2,1,1) |
| 60.26 | 1.5358 | 43.4 | (2,2,1) |
| 63.24 | 1.4704 | 17.9 | (2,2,2) |
| 74.51 | 1.2734 | 8.1 | (2,2,0) |
| 82.55 | 1.1686 | 17.4 | (3,2,2) |
| 85.19 | 1.1390 | 22.8 | (3,2,1) |
Energy Properties
Formation Energy/atom
0.06688
eV/atom
Energy/atom
-7.80315
eV/atom
Energy above Hull
0.3606
eV/atom
Uncorrected Energy
-7.8032
eV/atom
Volume/atom
16.52
ų
c/a Ratio
1.0000
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0005
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000020
μB/ų
Elastic Properties
KVRH
124.296
GPa
GVRH
64.499
GPa
Young's Modulus E
164.963
GPa
Poisson Ratio ν
0.279
Pugh Ratio K/G
1.927
Vickers Hardness Est.
-
GPa
Ductility
Brittle
Anisotropy
0.188
Lame λ
81.297
GPa
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Y · 0.500
Element Family
N/A
Solute Fraction
0.500
Interstitial Fraction
0.500
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.424
Family
Binary Alloy
Matrix Element
Y · 0.500
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-998893
Reference Citation
The crystal structure and related material properties of YC were obtained from the Materials Project database (MP-ID: mp-998893, 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_YC
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.60182517
_cell_length_b 3.60182517
_cell_length_c 3.60182517
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural YC
_chemical_formula_sum 'Y1 C1'
_cell_volume 33.04097748
_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
Y Y0 1 0.00000000 0.00000000 0.00000000 1.0
C C1 1 0.50000000 0.50000000 0.50000000 1.0
