CoSnRh2

高熵材料 HEA 传统材料 TRA 弹性数据 ELA

MP-ID: mp-1018085 · Space group: I4/mmm (#139)

Materials Project API

Basic Information

Formula

CoSnRh2

MP-ID

mp-1018085

Elements

Sites

Density

10.6513

g/cm³

Volume

59.78

Å³

Cell a

4.6021

Cell b

4.6021

Cell c

4.6021

α Angle

127.31

β Angle

127.31

γ Angle

77.75

Space Group

I4/mmm

Point Group

4/mmm

Crystal System

Tetragonal

Bravais Lattice

Stability

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 12)

2θ	d (Å)	I	hkl
25.09	3.5487	7.3	(1,0,-1)
40.10	2.2487	100.0	(2,0,-1)
43.91	2.0619	1.9	(2,1,-2)
44.35	2.0424	37.4	(1,-1,1)
50.98	1.7914	12.4	(2,2,-2)
51.64	1.7701	2.5	(2,-1,-1)
64.19	1.4510	1.4	(3,0,-2)
64.53	1.4442	12.0	(2,-2,0)
69.84	1.3468	19.0	(3,1,-3)
78.75	1.2152	27.3	(3,-1,-2)
86.58	1.1243	10.9	(4,0,-2)
88.61	1.1037	10.4	(3,3,-4)

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Energy Properties

Formation Energy/atom

-0.20586

eV/atom

Energy/atom

-6.67377

eV/atom

Energy above Hull

0.0661

eV/atom

Uncorrected Energy

-6.6738

eV/atom

Volume/atom

14.95

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

2.1972

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.036750

μB/Å³

Elastic Properties

K_VRH

185.482

GPa

G_VRH

68.250

GPa

Young's Modulus E

182.380

GPa

Poisson Ratio ν

0.336

Pugh Ratio K/G

2.718

Vickers Hardness Est.

GPa

Ductility

Brittle

Anisotropy

0.966

Lame λ

139.982

GPa

Feature Analysis

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Rh · 0.500

Element Family

N/A

Solute Fraction

0.500

Interstitial Fraction

0.000

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.465

Family

Rh-rich Multi-Component

Matrix Element

Rh · 0.500

Related Tasks

Related computation task IDs (5)

aaadmrrp aaadrmyz aaadxzjm aaaeupde aaafditd

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1018085

Reference Citation

The crystal structure and related material properties of CoSnRh2 were obtained from the Materials Project database (MP-ID: mp-1018085, 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_CoSnRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.60212605
_cell_length_b   4.60212605
_cell_length_c   4.60212605
_cell_angle_alpha   127.30833820
_cell_angle_beta   127.30833820
_cell_angle_gamma   77.74820329
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoSnRh2
_chemical_formula_sum   'Co1 Sn1 Rh2'
_cell_volume   59.78063897
_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
  Co  Co0  1  0.00000000  0.00000000  0.00000000  1.0
  Sn  Sn1  1  0.50000000  0.50000000  0.00000000  1.0
  Rh  Rh2  1  0.25000000  0.75000000  0.50000000  1.0
  Rh  Rh3  1  0.75000000  0.25000000  0.50000000  1.0

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