Na15Sn4

传统材料 TRA

MP-ID: mp-30794 · Space group: I-43d (#220)

Materials Project API

Basic Information

Formula

Na15Sn4

MP-ID

mp-30794

Elements

Sites

Density

2.4636

g/cm³

Volume

1,104.99

Å³

Cell a

11.2805

Cell b

11.2805

Cell c

11.2805

α Angle

109.47

β Angle

109.47

γ Angle

109.47

Space Group

I-43d

Point Group

-43m

Crystal System

Cubic

Bravais Lattice

Stability

Yes

Packing Fraction

0.6802

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
16.67	5.3177	34.9	(1,1,0)
19.27	4.6052	97.2	(2,0,0)
21.57	4.1191	6.5	(2,-1,1)
21.57	4.1191	32.3	(2,1,-2)
25.59	3.4812	8.3	(2,1,0)
27.39	3.2564	5.3	(2,2,-2)
32.23	2.7771	100.0	(2,1,1)
33.71	2.6588	41.0	(2,2,0)
35.13	2.5545	14.4	(3,-2,2)
35.13	2.5545	80.2	(3,2,-3)
37.83	2.3781	39.7	(3,2,-1)
39.12	2.3026	1.1	(4,0,0)
40.38	2.2339	7.6	(2,2,1)
42.80	2.1130	2.6	(3,2,0)
42.80	2.1130	1.2	(5,0,-3)
45.11	2.0099	22.1	(4,1,0)
47.33	1.9205	2.5	(4,2,-1)
48.42	1.8801	6.5	(2,2,2)
49.48	1.8421	23.3	(3,2,1)
50.53	1.8063	2.1	(5,1,-1)
51.56	1.7726	22.9	(3,3,0)
52.58	1.7406	5.1	(4,2,0)
53.58	1.7103	4.0	(5,2,-2)
55.55	1.6543	30.8	(4,3,-1)

Get direct link

Energy Properties

Formation Energy/atom

-0.21151

eV/atom

Energy/atom

-8.23506

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-8.2351

eV/atom

Volume/atom

29.08

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.0004

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Na · 0.789

Element Family

N/A

Solute Fraction

0.211

Interstitial Fraction

0.000

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.723

Family

Binary Alloy

Matrix Element

Na · 0.789

Related Tasks

Related computation task IDs (2)

aaacbpme aaaeltwl

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-30794

Reference Citation

The crystal structure and related material properties of Na15Sn4 were obtained from the Materials Project database (MP-ID: mp-30794, 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…

Style: Ball & Stick | Drag to rotate · Scroll to zoom · Right-click to pan

Raw CIF Data

# generated using pymatgen
data_Na15Sn4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.28047140
_cell_length_b   11.28047127
_cell_length_c   11.28047112
_cell_angle_alpha   109.47121859
_cell_angle_beta   109.47121835
_cell_angle_gamma   109.47122315
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na15Sn4
_chemical_formula_sum   'Na30 Sn8'
_cell_volume   1104.99382115
_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
  Na  Na0  1  0.25000000  0.62500000  0.37500000  1.0
  Na  Na1  1  0.37500000  0.25000000  0.62500000  1.0
  Na  Na2  1  0.12500000  0.75000000  0.87500000  1.0
  Na  Na3  1  0.87500000  0.12500000  0.75000000  1.0
  Na  Na4  1  0.62500000  0.37500000  0.25000000  1.0
  Na  Na5  1  0.75000000  0.87500000  0.12500000  1.0
  Na  Na6  1  0.11531044  0.08485442  0.27706226  1.0
  Na  Na7  1  0.91514558  0.69220684  0.03045501  1.0
  Na  Na8  1  0.16175282  0.88468956  0.46954499  1.0
  Na  Na9  1  0.46954499  0.16175282  0.88468956  1.0
  Na  Na10  1  0.72293774  0.33824718  0.80779316  1.0
  Na  Na11  1  0.80779316  0.72293774  0.33824718  1.0
  Na  Na12  1  0.69220684  0.03045501  0.91514558  1.0
  Na  Na13  1  0.83824718  0.22293774  0.30779316  1.0
  Na  Na14  1  0.53045501  0.19220684  0.41514558  1.0
  Na  Na15  1  0.66175282  0.96954499  0.38468956  1.0
  Na  Na16  1  0.22293774  0.30779316  0.83824718  1.0
  Na  Na17  1  0.41514558  0.53045501  0.19220684  1.0
  Na  Na18  1  0.96954499  0.38468956  0.66175282  1.0
  Na  Na19  1  0.27706226  0.11531044  0.08485442  1.0
  Na  Na20  1  0.08485442  0.27706226  0.11531044  1.0
  Na  Na21  1  0.30779316  0.83824718  0.22293774  1.0
  Na  Na22  1  0.19220684  0.41514558  0.53045501  1.0
  Na  Na23  1  0.38468956  0.66175282  0.96954499  1.0
  Na  Na24  1  0.58485442  0.61531044  0.77706226  1.0
  Na  Na25  1  0.77706226  0.58485442  0.61531044  1.0
  Na  Na26  1  0.61531044  0.77706226  0.58485442  1.0
  Na  Na27  1  0.33824718  0.80779316  0.72293774  1.0
  Na  Na28  1  0.03045501  0.91514558  0.69220684  1.0
  Na  Na29  1  0.88468956  0.46954499  0.16175282  1.0
  Sn  Sn30  1  0.41787547  0.41787547  0.41787547  1.0
  Sn  Sn31  1  0.58212453  0.50000000  0.00000000  1.0
  Sn  Sn32  1  -0.00000000  0.58212453  0.50000000  1.0
  Sn  Sn33  1  0.50000000  0.00000000  0.58212453  1.0
  Sn  Sn34  1  0.00000000  0.08212453  0.50000000  1.0
  Sn  Sn35  1  0.50000000  0.00000000  0.08212453  1.0
  Sn  Sn36  1  0.08212453  0.50000000  0.00000000  1.0
  Sn  Sn37  1  0.91787547  0.91787547  0.91787547  1.0

Get direct link