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Ti3Pt5

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-30851 · Space group: Ibam (#72)

Basic Information

Formula
Ti3Pt5
MP-ID
mp-30851
Elements
2
Sites
16
Density
15.0729
g/cm³
Volume
246.56
ų
Cell a
5.4534
Å
Cell b
7.3869
Å
Cell c
7.3869
Å
α Angle
67.65
°
β Angle
68.34
°
γ Angle
68.34
°
Space Group
Ibam
Point Group
mmm
Crystal System
Orthorhombic
Bravais Lattice
Orthorhombic I
Stability
Yes
Packing Fraction
0.6800

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å
Diffraction Peaks (Top 24)
2θd (Å)Ihkl
16.12 5.4975 2.8 (0,1,1)
18.16 4.8855 5.3 (1,0,0)
21.61 4.1121 8.0 (0,1,-1)
25.43 3.5029 76.5 (1,0,-1)
27.08 3.2928 22.6 (0,2,0)
28.37 3.1460 27.7 (1,1,-1)
29.36 3.0419 7.9 (1,-1,-1)
29.36 3.0419 7.9 (1,2,2)
32.58 2.7487 6.2 (0,2,2)
32.85 2.7267 5.7 (2,1,1)
35.64 2.5193 9.6 (2,1,0)
36.75 2.4455 14.4 (1,0,-2)
36.79 2.4427 4.8 (2,0,0)
36.79 2.4427 4.8 (2,2,2)
38.27 2.3520 10.8 (1,-1,-2)
38.27 2.3520 10.8 (1,3,2)
39.43 2.2852 90.5 (0,1,3)
39.43 2.2852 90.5 (0,3,1)
39.66 2.2725 92.3 (2,2,0)
39.66 2.2725 92.3 (2,0,2)
40.31 2.2373 11.9 (1,1,-2)
40.31 2.2373 11.9 (1,-2,1)
42.77 2.1141 2.3 (2,0,-1)
42.77 2.1141 7.0 (2,-1,0)
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Energy Properties

Formation Energy/atom
-1.02652
eV/atom
Energy/atom
-38.05800
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-38.0580
eV/atom
Volume/atom
15.41
ų
c/a Ratio
-

Electronic Properties

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

Magnetic Properties

Magnetic
Yes
Total Mag. Moment
0.0000
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų

Elastic Properties

KVRH
202.970
GPa
GVRH
73.603
GPa
Young's Modulus E
196.997
GPa
Poisson Ratio ν
0.338
Pugh Ratio K/G
2.758
Vickers Hardness Est.
4.546
GPa
Ductility
Brittle
Anisotropy
0.545
Lame λ
153.901
GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Pt · 0.625
Element Family
N/A
Solute Fraction
0.375
Interstitial Fraction
0.000

Traditional Material Features

ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.679
Family
Binary Alloy
Matrix Element
Pt · 0.625

Elasticity Features

Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
0.5450
Homogeneous Poisson ν
0.3380
Debye Temperature
296.7
K
Sound Velocity
2,480.6
m/s
Homogeneity
0.3380

Related Tasks

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-30851
Reference Citation

The crystal structure and related material properties of Ti3Pt5 were obtained from the Materials Project database (MP-ID: mp-30851, 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_Ti3Pt5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.45340013
_cell_length_b   7.38688792
_cell_length_c   7.38688773
_cell_angle_alpha   67.65194399
_cell_angle_beta   68.33822143
_cell_angle_gamma   68.33821103
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti3Pt5
_chemical_formula_sum   'Ti6 Pt10'
_cell_volume   246.55876691
_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
  Ti  Ti0  1  0.14643976  0.64533954  0.64533954  1.0
  Ti  Ti1  1  0.43711783  0.85466046  0.85466046  1.0
  Ti  Ti2  1  0.85356024  0.35466046  0.35466046  1.0
  Ti  Ti3  1  0.56288217  0.14533954  0.14533954  1.0
  Ti  Ti4  1  -0.00000000  0.25000000  0.75000000  1.0
  Ti  Ti5  1  -0.00000000  0.75000000  0.25000000  1.0
  Pt  Pt6  1  0.10852909  0.10295973  0.10295973  1.0
  Pt  Pt7  1  0.31444556  0.39704027  0.39704027  1.0
  Pt  Pt8  1  0.89147091  0.89704027  0.89704027  1.0
  Pt  Pt9  1  0.68555544  0.60295973  0.60295973  1.0
  Pt  Pt10  1  0.75715340  0.49284660  0.99284660  1.0
  Pt  Pt11  1  0.24284660  0.00715340  0.50715340  1.0
  Pt  Pt12  1  0.24284660  0.50715340  0.00715340  1.0
  Pt  Pt13  1  0.75715340  0.99284660  0.49284660  1.0
  Pt  Pt14  1  0.50000000  0.75000000  0.25000000  1.0
  Pt  Pt15  1  0.50000000  0.25000000  0.75000000  1.0
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