Sm3Ag

Traditional Materials TRA

MP-ID: mp-978790 · Space group: I4/mmm (#139)

Materials Project API

Basic Information

Formula

Sm3Ag

MP-ID

mp-978790

Elements

Sites

Density

8.0699

g/cm³

Volume

115.01

Å³

Cell a

6.1448

Cell b

6.1448

Cell c

6.1448

α Angle

134.81

β Angle

134.81

γ Angle

65.83

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 13)

2θ	d (Å)	I	hkl
20.69	4.2935	1.2	(1,0,0)
31.93	2.8030	100.0	(1,1,0)
34.78	2.5793	19.9	(2,2,-2)
38.12	2.3609	30.9	(1,-1,1)
52.55	1.7415	24.3	(3,1,-1)
55.01	1.6694	10.6	(0,0,2)
60.57	1.5287	15.8	(3,3,-2)
65.03	1.4343	25.4	(2,0,1)
66.74	1.4015	11.7	(2,2,0)
73.42	1.2896	2.2	(4,4,-4)
81.55	1.1805	3.4	(2,-2,2)
85.87	1.1318	6.0	(5,3,-3)
86.28	1.1274	11.9	(4,2,-1)

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Energy Properties

Formation Energy/atom

0.00506

eV/atom

Energy/atom

-27.63361

eV/atom

Energy above Hull

0.1563

eV/atom

Uncorrected Energy

-4.2294

eV/atom

Volume/atom

28.75

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0098

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000090

μB/Å³

Elastic Properties

Elastic data not available

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

0.617

Family

Binary Alloy

Matrix Element

Sm · 0.750

Related Tasks

Related computation task IDs (5)

aaadcngr aaadmgen aaadwbme aaaeslut aaafshbo

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-978790

Reference Citation

The crystal structure and related material properties of Sm3Ag were obtained from the Materials Project database (MP-ID: mp-978790, 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…

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Raw CIF Data

# generated using pymatgen
data_Sm3Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.14479655
_cell_length_b   6.14479655
_cell_length_c   6.14479655
_cell_angle_alpha   134.81003040
_cell_angle_beta   134.81003040
_cell_angle_gamma   65.82551305
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm3Ag
_chemical_formula_sum   'Sm3 Ag1'
_cell_volume   115.01385973
_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
  Sm  Sm0  1  0.75000000  0.25000000  0.50000000  1.0
  Sm  Sm1  1  0.25000000  0.75000000  0.50000000  1.0
  Sm  Sm2  1  0.50000000  0.50000000  0.00000000  1.0
  Ag  Ag3  1  0.00000000  0.00000000  0.00000000  1.0

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