ErPt5

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-1025030 · Space group: P6/mmm (#191)

Materials Project API

Basic Information

Formula

ErPt5

MP-ID

mp-1025030

Elements

Sites

Density

17.6485

g/cm³

Volume

107.51

Å³

Cell a

4.4499

Cell b

5.2820

Cell c

5.2820

α Angle

120.00

β Angle

90.00

γ Angle

90.00

Space Group

P6/mmm

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
19.41	4.5743	8.7	(0,1,-1,-1)
19.41	4.5743	17.3	(0,0,0,1)
27.97	3.1896	12.6	(1,1,-2,-1)
33.94	2.6410	17.7	(0,1,-1,-2)
39.40	2.2872	9.3	(0,2,-2,-2)
39.40	2.2872	18.7	(0,0,0,2)
39.69	2.2711	100.0	(1,2,-3,-1)
40.55	2.2249	36.2	(2,0,-2,0)
44.54	2.0342	47.9	(1,2,-3,-2)
45.33	2.0008	6.0	(2,1,-3,-1)
52.96	1.7289	1.3	(0,3,-3,-2)
52.96	1.7289	2.6	(0,1,-1,-3)
53.88	1.7016	9.7	(2,2,-4,-1)
57.16	1.6116	2.3	(1,2,-3,-3)
57.16	1.6116	1.2	(1,1,-2,2)
57.81	1.5948	18.5	(2,2,-4,-2)
60.74	1.5248	3.4	(0,3,-3,-3)
64.61	1.4424	8.1	(1,-3,2,3)
64.61	1.4424	16.2	(1,3,-4,0)
66.24	1.4110	1.1	(3,1,-4,-1)
68.76	1.3652	1.2	(2,3,-5,-2)
68.76	1.3652	2.4	(2,3,-5,-1)
71.44	1.3205	13.9	(0,2,-2,-4)
71.44	1.3205	7.0	(0,2,-2,2)

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Energy Properties

Formation Energy/atom

-0.73210

eV/atom

Energy/atom

-49.29277

eV/atom

Energy above Hull

0.0308

eV/atom

Uncorrected Energy

-49.2928

eV/atom

Volume/atom

17.92

Å³

c/a Ratio

1.1870

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

K_VRH

189.776

GPa

G_VRH

76.477

GPa

Young's Modulus E

202.262

GPa

Poisson Ratio ν

0.322

Pugh Ratio K/G

2.481

Vickers Hardness Est.

5.731

GPa

Ductility

Brittle

Anisotropy

0.203

Lame λ

138.791

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Pt · 0.833

Element Family

N/A

Solute Fraction

0.167

Interstitial Fraction

0.000

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.612

Family

Binary Alloy

Matrix Element

Pt · 0.833

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

0.2030

Homogeneous Poisson ν

0.3220

Debye Temperature

279.6

Sound Velocity

2,331.9

m/s

Homogeneity

0.3220

Related Tasks

Related computation task IDs (5)

aaadonaa aaadvzfr aaaemavp aaaeqjbs aaafbmlt

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1025030

Reference Citation

The crystal structure and related material properties of ErPt5 were obtained from the Materials Project database (MP-ID: mp-1025030, 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_ErPt5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.44985332
_cell_length_b   5.28195009
_cell_length_c   5.28195009
_cell_angle_alpha   120.00000758
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ErPt5
_chemical_formula_sum   'Er1 Pt5'
_cell_volume   107.51396530
_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
  Er  Er0  1  0.00000000  -0.00000000  0.00000000  1.0
  Pt  Pt1  1  0.50000000  0.50000000  0.50000000  1.0
  Pt  Pt2  1  0.50000000  -0.00000000  0.50000000  1.0
  Pt  Pt3  1  0.50000000  0.50000000  0.00000000  1.0
  Pt  Pt4  1  0.00000000  0.66666700  0.33333300  1.0
  Pt  Pt5  1  0.00000000  0.33333300  0.66666700  1.0

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