Sm2Zn17

Traditional Materials TRA

MP-ID: mp-30712 · Space group: R-3m (#166)

Materials Project API

Basic Information

Formula

Sm2Zn17

MP-ID

mp-30712

Elements

Sites

Density

7.8554

g/cm³

Volume

298.62

Å³

Cell a

6.7314

Cell b

6.7314

Cell c

6.7314

α Angle

82.96

β Angle

82.96

γ Angle

82.96

Space Group

R-3m

Point Group

-3m

Crystal System

Trigonal

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 24)

2θ	d (Å)	I	hkl
17.83	4.9752	1.0	(1,1,0)
24.04	3.7015	1.5	(1,-1,-1)
24.04	3.7015	2.9	(1,1,-1)
26.85	3.3203	3.1	(2,0,0)
26.85	3.3203	1.6	(0,2,0)
28.72	3.1087	5.5	(0,1,2)
28.72	3.1087	27.3	(2,1,0)
29.81	2.9976	6.1	(2,1,1)
31.41	2.8479	1.7	(2,0,-1)
33.66	2.6630	11.8	(2,1,-1)
34.85	2.5741	15.5	(2,-1,-1)
34.85	2.5741	31.1	(1,1,-2)
36.11	2.4876	10.2	(0,2,2)
36.11	2.4876	20.5	(2,2,0)
36.44	2.4659	2.1	(2,1,2)
36.44	2.4659	1.0	(2,2,1)
40.46	2.2292	50.1	(2,0,-2)
40.46	2.2292	25.0	(0,2,-2)
40.76	2.2135	20.6	(1,-2,-2)
40.76	2.2135	100.0	(3,0,0)
41.57	2.1723	14.4	(3,1,0)
41.57	2.1723	2.9	(1,3,0)
41.65	2.1684	40.5	(2,2,2)
41.87	2.1578	8.0	(1,1,3)

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Energy Properties

Formation Energy/atom

-0.26278

eV/atom

Energy/atom

-1.88661

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-11.3936

eV/atom

Volume/atom

15.72

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.0000

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Zn · 0.895

Element Family

N/A

Solute Fraction

0.105

Interstitial Fraction

0.000

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.775

Family

Zn-based Alloy

Matrix Element

Zn · 0.895

Related Tasks

Related computation task IDs (5)

aaadnlwj aaadrjwn aaaelagr aaaetorx aaafwzvf

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-30712

Reference Citation

The crystal structure and related material properties of Sm2Zn17 were obtained from the Materials Project database (MP-ID: mp-30712, 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_Sm2Zn17
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.73136444
_cell_length_b   6.73136423
_cell_length_c   6.73136482
_cell_angle_alpha   82.95588991
_cell_angle_beta   82.95590197
_cell_angle_gamma   82.95590412
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm2Zn17
_chemical_formula_sum   'Sm2 Zn17'
_cell_volume   298.62189197
_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  0.66377609  0.66377609  0.66377609  1.0
  Sm  Sm1  1  0.33622391  0.33622391  0.33622391  1.0
  Zn  Zn2  1  0.35016010  0.35016010  0.83943089  1.0
  Zn  Zn3  1  0.35016010  0.83943089  0.35016010  1.0
  Zn  Zn4  1  0.09921248  0.09921248  0.09921248  1.0
  Zn  Zn5  1  0.90078752  0.90078752  0.90078752  1.0
  Zn  Zn6  1  -0.00000000  0.00000000  0.50000000  1.0
  Zn  Zn7  1  0.50000000  0.00000000  0.00000000  1.0
  Zn  Zn8  1  -0.00000000  0.50000000  0.00000000  1.0
  Zn  Zn9  1  0.70664387  0.29335613  1.00000000  1.0
  Zn  Zn10  1  1.00000000  0.70664387  0.29335613  1.0
  Zn  Zn11  1  0.29335613  0.00000000  0.70664387  1.0
  Zn  Zn12  1  0.29335613  0.70664387  0.00000000  1.0
  Zn  Zn13  1  0.00000000  0.29335613  0.70664387  1.0
  Zn  Zn14  1  0.70664387  1.00000000  0.29335613  1.0
  Zn  Zn15  1  0.64983990  0.16056911  0.64983990  1.0
  Zn  Zn16  1  0.64983990  0.64983990  0.16056911  1.0
  Zn  Zn17  1  0.16056911  0.64983990  0.64983990  1.0
  Zn  Zn18  1  0.83943089  0.35016010  0.35016010  1.0

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