Sm3Ho

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-979899 · Space group: P6_3/mmc (#194)

Materials Project API

Basic Information

Formula

Sm3Ho

MP-ID

mp-979899

Elements

Sites

Density

7.4521

g/cm³

Volume

274.53

Å³

Cell a

7.3552

Cell b

7.3552

Cell c

5.8596

α Angle

90.00

β Angle

90.00

γ Angle

120.00

Space Group

P6_3/mmc

Point Group

6/mmm

Crystal System

Hexagonal

Bravais Lattice

Stability

Packing Fraction

0.7405

X-ray Diffraction

Diffraction Pattern

Target / Radiation

X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å

Diffraction Peaks (Top 24)

2θ	d (Å)	I	hkl
28.02	3.1849	11.8	(0,2,-2,0)
28.02	3.1849	11.8	(2,0,-2,0)
28.02	3.1849	11.8	(2,-2,0,0)
30.51	2.9298	37.8	(0,0,0,2)
31.98	2.7983	50.0	(0,2,-2,1)
31.98	2.7983	100.0	(2,0,-2,1)
41.90	2.1562	8.0	(0,2,-2,2)
41.90	2.1562	16.0	(2,0,-2,2)
49.57	1.8388	9.8	(2,2,-4,0)
49.57	1.8388	9.8	(2,-4,2,0)
49.57	1.8388	9.8	(4,-2,-2,0)
55.16	1.6650	10.7	(0,2,-2,3)
55.16	1.6650	21.4	(2,0,-2,3)
57.91	1.5925	1.5	(0,4,-4,0)
57.91	1.5925	1.5	(4,0,-4,0)
57.91	1.5925	1.5	(4,-4,0,0)
59.34	1.5575	11.4	(2,2,-4,2)
59.34	1.5575	11.4	(2,-4,2,2)
59.34	1.5575	11.4	(4,-2,-2,2)
60.22	1.5367	8.2	(0,4,-4,1)
60.22	1.5367	8.2	(4,0,-4,1)
60.22	1.5367	8.2	(4,-4,0,1)
63.51	1.4649	4.7	(0,0,0,4)
66.87	1.3991	2.0	(0,4,-4,2)

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Energy Properties

Formation Energy/atom

0.01092

eV/atom

Energy/atom

-30.50911

eV/atom

Energy above Hull

0.0124

eV/atom

Uncorrected Energy

-30.5091

eV/atom

Volume/atom

34.32

Å³

c/a Ratio

0.7967

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

4.7980

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.017480

μB/Å³

Elastic Properties

K_VRH

36.414

GPa

G_VRH

20.498

GPa

Young's Modulus E

51.778

GPa

Poisson Ratio ν

0.263

Pugh Ratio K/G

1.776

Vickers Hardness Est.

2.976

GPa

Ductility

Brittle

Anisotropy

0.055

Lame λ

22.749

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Sm · 0.750

Element Family

N/A

Solute Fraction

0.250

Interstitial Fraction

0.000

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.633

Family

Binary Alloy

Matrix Element

Sm · 0.750

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

0.0550

Homogeneous Poisson ν

0.2630

Homogeneity

0.2630

Related Tasks

Related computation task IDs (2)

aaadtvbj aaaekwcz

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-979899

Reference Citation

The crystal structure and related material properties of Sm3Ho were obtained from the Materials Project database (MP-ID: mp-979899, 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_Sm3Ho
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.35519580
_cell_length_b   7.35520058
_cell_length_c   5.85962154
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99996396
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm3Ho
_chemical_formula_sum   'Sm6 Ho2'
_cell_volume   274.52956100
_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
  Sm  Sm0  1  0.16913617  0.33827234  0.25000000  1.0
  Sm  Sm1  1  0.66172966  0.83086583  0.25000000  1.0
  Sm  Sm2  1  0.16913517  0.83086583  0.25000000  1.0
  Sm  Sm3  1  0.83086383  0.66172766  0.75000000  1.0
  Sm  Sm4  1  0.33827134  0.16913517  0.75000000  1.0
  Sm  Sm5  1  0.83086483  0.16913517  0.75000000  1.0
  Ho  Ho6  1  0.33333400  0.66666800  0.75000000  1.0
  Ho  Ho7  1  0.66666600  0.33333300  0.25000000  1.0

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