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TmNi5

Traditional Materials TRA Elasticity Data ELA

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

Basic Information

Formula
TmNi5
MP-ID
mp-11526
Elements
2
Sites
6
Density
9.8763
g/cm³
Volume
77.75
ų
Cell a
4.7931
Å
Cell b
4.7931
Å
Cell c
3.9075
Å
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
Hexagonal P
Stability
Yes
Packing Fraction
0.7400

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å
Diffraction Peaks (Top 24)
2θd (Å)Ihkl
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
ų
c/a Ratio
0.8152

Electronic Properties

Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV

Magnetic Properties

Magnetic
Yes
Total Mag. Moment
1.8539
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.023850
μB/ų

Elastic Properties

KVRH
155.253
GPa
GVRH
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
A
Score
0.797
Family
Ni-based Alloy
Matrix Element
Ni · 0.833

Elasticity Features

Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
0.1070
Homogeneous Poisson ν
0.2900
Debye Temperature
455.7
K
Sound Velocity
3,090.6
m/s
Homogeneity
0.2900

Related Tasks

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

BibTeX
@article{Horton2025,
  author  = {Horton, Matthew K. and Huck, Patrick and Yang, Ruo Xi and Munro, Jason M. and Dwaraknath, Shyam and Ganose, Alex M. and Kingsbury, Ryan S. and Wen, Mingjian and Shen, Jimmy X. and Mathis, Tyler S. and Kaplan, Aaron D. and Berket, Karlo and Riebesell, Janosh and George, Janine and Rosen, Andrew S. and Spotte-Smith, Evan W. C. and McDermott, Matthew J. and Cohen, Orion A. and Dunn, Alex and Kuner, Matthew C. and Rignanese, Gian-Marco and Petretto, Guido and Waroquiers, David and Griffin, Sinead M. and Neaton, Jeffrey B. and Chrzan, Daryl C. and Asta, Mark and Hautier, Geoffroy and Cholia, Shreyas and Ceder, Gerbrand and Ong, Shyue Ping and Jain, Anubhav and Persson, Kristin A.},
  title   = {Accelerated data-driven materials science with the Materials Project},
  journal = {Nature Materials},
  year    = {2025},
  volume  = {24},
  number  = {10},
  pages   = {1522--1532},
  month   = {oct},
  doi     = {10.1038/s41563-025-02272-0},
  issn    = {1476-4660},
  url     = {https://doi.org/10.1038/s41563-025-02272-0},
  abstract = {The Materials Project was launched formally in 2011 to drive materials discovery forwards through high-throughput computation and open data. More than a decade later, the Materials Project has become an indispensable tool used by more than 600,000 materials researchers around the world. This Perspective describes how the Materials Project, as a data platform and a software ecosystem, has helped to shape research in data-driven materials science. We cover how sustainable software and computational methods have accelerated materials design while becoming more open source and collaborative in nature. Next, we present cases where the Materials Project was used to understand and discover functional materials. We then describe our efforts to meet the needs of an expanding user base, through technical infrastructure updates ranging from data architecture and cloud resources to interactive web applications. Finally, we discuss opportunities to better aid the research community, with the vision that more accessible and easy-to-understand materials data will result in democratized materials knowledge and an increasingly collaborative community.}
}

3D Crystal Structure Rendering

Loading 3D structure…

Style: Ball & Stick
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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