TmNi5

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-11526 · Space group: P6/mmm (#191)

Materials Project API

Basic Information

Formula

TmNi5

MP-ID

mp-11526

Elements

Sites

Density

9.8763

g/cm³

Volume

77.75

Å³

Cell a

4.7931

Cell b

4.7931

Cell c

3.9075

α Angle

90.00

β Angle

90.00

γ Angle

120.00

Space Group

P6/mmm

Point Group

6/mmm

Crystal System

Hexagonal

Bravais Lattice

Stability

Yes

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
21.41	4.1511	3.1	(1,0,-1,0)
21.41	4.1511	3.1	(0,1,-1,0)
21.41	4.1508	3.1	(1,-1,0,0)
22.76	3.9075	22.6	(0,0,0,1)
31.44	2.8452	55.3	(1,0,-1,1)
31.44	2.8452	55.3	(0,1,-1,1)
31.44	2.8452	55.3	(1,-1,0,1)
37.53	2.3967	33.2	(1,1,-2,0)
37.53	2.3965	33.2	(2,-1,-1,0)
37.53	2.3965	33.2	(1,-2,1,0)
43.61	2.0756	35.4	(2,0,-2,0)
43.61	2.0755	35.4	(0,2,-2,0)
43.61	2.0754	35.4	(2,-2,0,0)
44.34	2.0430	100.0	(1,1,-2,1)
44.34	2.0429	100.0	(2,-1,-1,1)
44.34	2.0429	100.0	(1,-2,1,1)
46.48	1.9538	79.8	(0,0,0,2)
49.74	1.8330	4.1	(2,0,-2,1)
49.74	1.8330	4.1	(0,2,-2,1)
49.74	1.8329	4.1	(2,-2,0,1)
61.21	1.5143	15.6	(1,1,-2,2)
61.21	1.5143	15.6	(2,-1,-1,2)
61.21	1.5143	15.6	(1,-2,1,2)
63.94	1.4560	7.3	(2,1,-3,1)

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Energy Properties

Formation Energy/atom

-0.33831

eV/atom

Energy/atom

-5.90218

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-16.1606

eV/atom

Volume/atom

12.96

Å³

c/a Ratio

0.8152

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

1.8539

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.023850

μB/Å³

Elastic Properties

K_VRH

155.253

GPa

G_VRH

75.801

GPa

Young's Modulus E

195.574

GPa

Poisson Ratio ν

0.290

Pugh Ratio K/G

2.048

Vickers Hardness Est.

7.873

GPa

Ductility

Brittle

Anisotropy

0.107

Lame λ

104.719

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Ni · 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

0.797

Family

Ni-based Alloy

Matrix Element

Ni · 0.833

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

0.1070

Homogeneous Poisson ν

0.2900

Debye Temperature

455.7

Sound Velocity

3,090.6

m/s

Homogeneity

0.2900

Related Tasks

Related computation task IDs (5)

aaadmjxb aaadsnsa aaaelklc aaaeusni aaafxhqk

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-11526

Reference Citation

The crystal structure and related material properties of TmNi5 were obtained from the Materials Project database (MP-ID: mp-11526, 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_TmNi5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.79308481
_cell_length_b   4.79306296
_cell_length_c   3.90750342
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99593393
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TmNi5
_chemical_formula_sum   'Tm1 Ni5'
_cell_volume   77.74563922
_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
  Tm  Tm0  1  -0.00000000  0.00000000  0.00000000  1.0
  Ni  Ni1  1  0.33334207  0.66666787  -0.00000000  1.0
  Ni  Ni2  1  0.66665793  0.33333213  -0.00000000  1.0
  Ni  Ni3  1  0.50000000  0.00000000  0.50000000  1.0
  Ni  Ni4  1  0.50000000  0.50000000  0.50000000  1.0
  Ni  Ni5  1  -0.00000000  0.50000000  0.50000000  1.0

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