CoPt

传统材料 TRA 弹性数据 ELA

MP-ID: mp-949 · Space group: P4/mmm (#123)

Materials Project API

Basic Information

Formula

CoPt

MP-ID

mp-949

Elements

Sites

Density

15.7902

g/cm³

Volume

53.43

Å³

Cell a

3.7252

Cell b

3.7871

Cell c

3.7871

α Angle

90.00

β Angle

90.00

γ Angle

90.00

Space Group

P4/mmm

Point Group

4/mmm

Crystal System

Tetragonal

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 14)

2θ	d (Å)	I	hkl
23.89	3.7252	26.8	(1,0,0)
33.46	2.6779	23.3	(0,1,1)
41.53	2.1744	100.0	(1,1,1)
48.05	1.8935	32.8	(0,2,0)
48.90	1.8626	15.6	(2,0,0)
54.35	1.6880	12.6	(1,2,0)
60.55	1.5291	9.3	(2,1,1)
70.31	1.3389	10.4	(0,2,2)
70.98	1.3279	20.2	(2,2,0)
75.44	1.2600	5.1	(1,2,2)
76.75	1.2417	1.2	(3,0,0)
80.14	1.1976	4.4	(0,3,1)
85.09	1.1401	25.2	(1,3,1)
86.37	1.1265	12.2	(3,1,1)

Get direct link

Energy Properties

Formation Energy/atom

-0.07316

eV/atom

Energy/atom

-6.67543

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-6.6754

eV/atom

Volume/atom

13.36

Å³

c/a Ratio

1.0166

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

4.8160

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.090140

μB/Å³

Elastic Properties

K_VRH

218.250

GPa

G_VRH

108.106

GPa

Young's Modulus E

278.358

GPa

Poisson Ratio ν

0.287

Pugh Ratio K/G

2.019

Vickers Hardness Est.

GPa

Ductility

Brittle

Anisotropy

0.572

Lame λ

146.179

GPa

Feature Analysis

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Co · 0.500

Element Family

N/A

Solute Fraction

0.500

Interstitial Fraction

0.000

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.789

Family

Co-based Alloy

Matrix Element

Co · 0.500

Related Tasks

Related computation task IDs (6)

aaadmlxu aaadqxzs aaadycco aaaegqub aaaeusvb aaafbyev

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-949

Reference Citation

The crystal structure and related material properties of CoPt were obtained from the Materials Project database (MP-ID: mp-949, 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_CoPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.72521526
_cell_length_b   3.78705947
_cell_length_c   3.78705947
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoPt
_chemical_formula_sum   'Co2 Pt2'
_cell_volume   53.42636459
_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
  Co  Co0  1  -0.00000000  -0.00000000  -0.00000000  1.0
  Co  Co1  1  0.00000000  0.50000000  0.50000000  1.0
  Pt  Pt2  1  0.50000000  -0.00000000  0.50000000  1.0
  Pt  Pt3  1  0.50000000  0.50000000  0.00000000  1.0

Get direct link