Ce7Pt3

Traditional Materials TRA

MP-ID: mp-1182329 · Space group: P6_3mc (#186)

Materials Project API

Basic Information

Formula

Ce7Pt3

MP-ID

mp-1182329

Elements

Sites

Density

9.7683

g/cm³

Volume

532.44

Å³

Cell a

9.9770

Cell b

9.9770

Cell c

6.1765

α Angle

90.00

β Angle

90.00

γ Angle

120.00

Space Group

P6_3mc

Point Group

6mm

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
10.24	8.6403	1.2	(1,0,-1,0)
17.65	5.0247	20.9	(1,0,-1,1)
17.78	4.9885	16.2	(2,-1,-1,0)
20.56	4.3202	10.3	(2,0,-2,0)
25.16	3.5401	18.4	(2,0,-2,1)
27.31	3.2657	1.1	(3,-1,-2,0)
28.91	3.0883	10.1	(0,0,0,2)
30.75	2.9081	46.4	(1,0,-1,2)
30.98	2.8870	98.0	(3,-1,-2,1)
31.05	2.8801	31.3	(3,0,-3,0)
34.15	2.6258	18.6	(2,-1,-1,2)
34.36	2.6103	100.0	(3,0,-3,1)
35.74	2.5124	93.1	(2,0,-2,2)
36.01	2.4943	93.8	(4,-2,-2,0)
40.19	2.2438	32.4	(3,-1,-2,2)
40.37	2.2341	10.6	(4,-1,-3,1)
41.82	2.1601	4.7	(4,0,-4,0)
42.94	2.1063	13.4	(3,0,-3,2)
44.43	2.0390	15.5	(4,0,-4,1)
45.28	2.0028	7.3	(1,0,-1,3)
46.82	1.9404	8.8	(4,-2,-2,2)
48.22	1.8874	24.5	(5,-2,-3,1)
49.01	1.8586	14.2	(2,0,-2,3)
50.62	1.8033	29.1	(5,-1,-4,1)

Get direct link

Energy Properties

Formation Energy/atom

-0.72572

eV/atom

Energy/atom

-37.76048

eV/atom

Energy above Hull

0.0144

eV/atom

Uncorrected Energy

-6.6109

eV/atom

Volume/atom

26.62

Å³

c/a Ratio

0.6191

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

8.1625

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.015330

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Ce · 0.700

Element Family

N/A

Solute Fraction

0.300

Interstitial Fraction

0.000

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.713

Family

Binary Alloy

Matrix Element

Ce · 0.700

Related Tasks

Related computation task IDs (4)

aaadotxm aaadumfy aaaefqty aaaettvi

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1182329

Reference Citation

The crystal structure and related material properties of Ce7Pt3 were obtained from the Materials Project database (MP-ID: mp-1182329, 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_Ce7Pt3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.97699155
_cell_length_b   9.97699155
_cell_length_c   6.17649600
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999698
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ce7Pt3
_chemical_formula_sum   'Ce14 Pt6'
_cell_volume   532.44164649
_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
  Ce  Ce0  1  0.66666700  0.33333300  0.56806800  1.0
  Ce  Ce1  1  0.33333300  0.66666700  0.06806800  1.0
  Ce  Ce2  1  0.87058300  0.74116500  0.75384100  1.0
  Ce  Ce3  1  0.25883500  0.12941700  0.75384100  1.0
  Ce  Ce4  1  0.87058300  0.12941700  0.75384100  1.0
  Ce  Ce5  1  0.12941700  0.25883500  0.25384100  1.0
  Ce  Ce6  1  0.74116500  0.87058300  0.25384100  1.0
  Ce  Ce7  1  0.12941700  0.87058300  0.25384100  1.0
  Ce  Ce8  1  0.46309000  0.92617900  0.53575200  1.0
  Ce  Ce9  1  0.07382100  0.53691000  0.53575200  1.0
  Ce  Ce10  1  0.46309000  0.53691000  0.53575200  1.0
  Ce  Ce11  1  0.53691000  0.07382100  0.03575200  1.0
  Ce  Ce12  1  0.92617900  0.46309000  0.03575200  1.0
  Ce  Ce13  1  0.53691000  0.46309000  0.03575200  1.0
  Pt  Pt14  1  0.18828600  0.37657200  0.80195600  1.0
  Pt  Pt15  1  0.62342800  0.81171400  0.80195600  1.0
  Pt  Pt16  1  0.18828600  0.81171400  0.80195600  1.0
  Pt  Pt17  1  0.81171400  0.62342800  0.30195600  1.0
  Pt  Pt18  1  0.37657200  0.18828600  0.30195600  1.0
  Pt  Pt19  1  0.81171400  0.18828600  0.30195600  1.0

Get direct link