Na3Pt

Traditional Materials TRA

MP-ID: mp-983445 · Space group: P6_3/mmc (#194)

Materials Project API

Basic Information

Formula

Na3Pt

MP-ID

mp-983445

Elements

Sites

Density

4.8211

g/cm³

Volume

181.90

Å³

Cell a

6.3807

Cell b

6.3807

Cell c

5.1590

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
16.04	5.5258	49.5	(1,0,-1,0)
23.59	3.7710	100.0	(1,0,-1,1)
27.97	3.1903	47.0	(2,-1,-1,0)
32.40	2.7629	20.0	(2,0,-2,0)
34.78	2.5795	22.3	(0,0,0,2)
36.91	2.4356	84.4	(2,0,-2,1)
38.52	2.3374	11.6	(1,0,-1,2)
43.32	2.0886	1.8	(3,-2,-1,0)
43.32	2.0886	3.6	(3,-1,-2,0)
45.20	2.0059	26.3	(2,-1,-1,2)
46.93	1.9359	38.7	(3,-1,-2,1)
48.27	1.8855	13.1	(2,0,-2,2)
49.48	1.8419	9.9	(3,0,-3,0)
56.00	1.6420	10.1	(1,0,-1,3)
56.71	1.6232	3.4	(3,-1,-2,2)
56.71	1.6232	1.7	(2,1,-3,2)
57.80	1.5952	14.7	(4,-2,-2,0)
60.40	1.5326	3.3	(4,-1,-3,0)
61.90	1.4990	10.4	(3,0,-3,2)
63.30	1.4691	14.8	(4,-1,-3,1)
63.75	1.4600	16.7	(2,0,-2,3)
67.84	1.3815	2.2	(4,0,-4,0)
69.25	1.3567	16.9	(4,-2,-2,2)
70.58	1.3344	3.9	(4,-4,0,1)

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Energy Properties

Formation Energy/atom

-0.07107

eV/atom

Energy/atom

-15.61613

eV/atom

Energy above Hull

0.1019

eV/atom

Uncorrected Energy

-2.5449

eV/atom

Volume/atom

22.74

Å³

c/a Ratio

0.8085

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0088

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000050

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Na · 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

0.653

Family

Binary Alloy

Matrix Element

Na · 0.750

Related Tasks

Related computation task IDs (5)

aaadcfaf aaadojgm aaadvwkz aaaeqidu aaafbfnc

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-983445

Reference Citation

The crystal structure and related material properties of Na3Pt were obtained from the Materials Project database (MP-ID: mp-983445, 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_Na3Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.38066030
_cell_length_b   6.38066030
_cell_length_c   5.15895000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000312
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na3Pt
_chemical_formula_sum   'Na6 Pt2'
_cell_volume   181.89601499
_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  0.17822600  0.35645300  0.25000000  1.0
  Na  Na1  1  0.64354700  0.82177400  0.25000000  1.0
  Na  Na2  1  0.17822600  0.82177400  0.25000000  1.0
  Na  Na3  1  0.82177400  0.64354700  0.75000000  1.0
  Na  Na4  1  0.35645300  0.17822600  0.75000000  1.0
  Na  Na5  1  0.82177400  0.17822600  0.75000000  1.0
  Pt  Pt6  1  0.33333300  0.66666700  0.75000000  1.0
  Pt  Pt7  1  0.66666700  0.33333300  0.25000000  1.0

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