FeSnRh2

高熵材料 HEA 传统材料 TRA 弹性数据 ELA

MP-ID: mp-1018062 · Space group: I4/mmm (#139)

Materials Project API

Basic Information

Formula

FeSnRh2

MP-ID

mp-1018062

Elements

Sites

Density

10.5426

g/cm³

Volume

59.91

Å³

Cell a

4.1308

Cell b

4.1308

Cell c

4.5672

α Angle

116.89

β Angle

116.89

γ Angle

90.00

Space Group

I4/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 11)

2θ	d (Å)	I	hkl
25.01	3.5604	8.3	(1,0,-1)
40.16	2.2455	100.0	(1,1,-2)
43.83	2.0654	38.9	(2,0,-1)
44.49	2.0365	2.0	(1,0,-2)
51.13	1.7865	2.9	(2,1,-2)
52.10	1.7556	11.6	(0,0,2)
63.72	1.4604	12.6	(2,2,-2)
64.23	1.4501	1.6	(2,1,-3)
70.39	1.3376	18.7	(2,0,-3)
78.06	1.2243	28.0	(3,1,-3)
86.73	1.1227	10.9	(2,2,-4)

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Energy Properties

Formation Energy/atom

-0.30102

eV/atom

Energy/atom

-7.10308

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-22.2357

eV/atom

Volume/atom

14.98

Å³

c/a Ratio

1.1057

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

4.1290

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.068920

μB/Å³

Elastic Properties

K_VRH

177.299

GPa

G_VRH

68.595

GPa

Young's Modulus E

182.278

GPa

Poisson Ratio ν

0.329

Pugh Ratio K/G

2.585

Vickers Hardness Est.

GPa

Ductility

Brittle

Anisotropy

0.336

Lame λ

131.569

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

0.469

Family

Rh-rich Multi-Component

Matrix Element

Rh · 0.500

Related Tasks

Related computation task IDs (5)

aaacipmj aaadsugp aaaemelf aaaeurmn aaafwwjv

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1018062

Reference Citation

The crystal structure and related material properties of FeSnRh2 were obtained from the Materials Project database (MP-ID: mp-1018062, 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_FeSnRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.13074877
_cell_length_b   4.13074877
_cell_length_c   4.56721273
_cell_angle_alpha   116.88605784
_cell_angle_beta   116.88605784
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeSnRh2
_chemical_formula_sum   'Fe1 Sn1 Rh2'
_cell_volume   59.91036019
_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
  Fe  Fe0  1  0.00000000  -0.00000000  -0.00000000  1.0
  Sn  Sn1  1  0.50000000  0.50000000  -0.00000000  1.0
  Rh  Rh2  1  0.75000000  0.25000000  0.50000000  1.0
  Rh  Rh3  1  0.25000000  0.75000000  0.50000000  1.0

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