SrC2
弹性数据 ELAMP-ID: mp-1008776 · Space group: R-3m (#166)
Basic Information
Formula
SrC2
MP-ID
mp-1008776
Elements
2
Sites
3
Density
3.6612
g/cm³
Volume
50.64
ų
Cell a
3.7108
Å
Cell b
3.7108
Å
Cell c
3.7108
Å
α Angle
85.43
°
β Angle
85.43
°
γ Angle
85.43
°
Space Group
R-3m
Point Group
-3m
Crystal System
Trigonal
Bravais Lattice
hR
Stability
No
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 |
|---|---|---|---|
| 24.13 | 3.6889 | 70.8 | (1,0,0) |
| 24.13 | 3.6889 | 35.4 | (0,0,1) |
| 33.05 | 2.7103 | 97.2 | (1,1,0) |
| 35.67 | 2.5173 | 100.0 | (1,0,-1) |
| 39.05 | 2.3067 | 18.1 | (1,1,1) |
| 43.52 | 2.0793 | 16.5 | (1,-1,1) |
| 43.52 | 2.0793 | 8.2 | (1,1,-1) |
| 49.41 | 1.8445 | 29.7 | (2,0,0) |
| 53.91 | 1.7007 | 13.8 | (2,0,1) |
| 53.91 | 1.7007 | 27.6 | (2,1,0) |
| 57.29 | 1.6080 | 12.4 | (2,1,1) |
| 57.49 | 1.6031 | 15.2 | (2,0,-1) |
| 57.49 | 1.6031 | 7.6 | (1,0,-2) |
| 62.42 | 1.4878 | 9.6 | (2,-1,1) |
| 62.42 | 1.4878 | 19.3 | (2,1,-1) |
| 64.07 | 1.4534 | 10.7 | (2,-1,-1) |
| 64.07 | 1.4534 | 5.4 | (1,1,-2) |
| 69.34 | 1.3552 | 7.2 | (2,2,0) |
| 71.52 | 1.3191 | 11.4 | (2,2,1) |
| 75.54 | 1.2587 | 3.3 | (2,-2,0) |
| 75.54 | 1.2587 | 6.6 | (2,0,-2) |
| 77.65 | 1.2297 | 9.4 | (3,0,0) |
| 77.65 | 1.2297 | 4.7 | (2,2,-1) |
| 80.49 | 1.1932 | 6.4 | (3,1,0) |
Energy Properties
Formation Energy/atom
0.07418
eV/atom
Energy/atom
-11.60586
eV/atom
Energy above Hull
0.2015
eV/atom
Uncorrected Energy
-6.5467
eV/atom
Volume/atom
16.88
ų
c/a Ratio
1.0000
Electronic Properties
Metallic
Non-metal
Band Gap
1.810
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0000
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų
Elastic Properties
KVRH
53.228
GPa
GVRH
19.779
GPa
Young's Modulus E
52.797
GPa
Poisson Ratio ν
0.335
Pugh Ratio K/G
2.691
Vickers Hardness Est.
0.600
GPa
Ductility
Brittle
Anisotropy
6.807
Lame λ
40.042
GPa
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
C · 0.667
Element Family
Metalloid-Nonmetal
Solute Fraction
0.333
Interstitial Fraction
0.667
Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
6.8070
Homogeneous Poisson ν
0.3350
Debye Temperature
505.0
K
Sound Velocity
2,607.9
m/s
Homogeneity
0.3350
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1008776
Reference Citation
The crystal structure and related material properties of SrC2 were obtained from the Materials Project database (MP-ID: mp-1008776, 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_SrC2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.71078575
_cell_length_b 3.71078575
_cell_length_c 3.71078533
_cell_angle_alpha 85.43448185
_cell_angle_beta 85.43448185
_cell_angle_gamma 85.43449271
_symmetry_Int_Tables_number 1
_chemical_formula_structural SrC2
_chemical_formula_sum 'Sr1 C2'
_cell_volume 50.63531174
_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
Sr Sr0 1 0.00000000 0.00000000 0.00000000 1.0
C C1 1 0.59155800 0.59155800 0.59155800 1.0
C C2 1 0.40844200 0.40844200 0.40844200 1.0
