Pt2W
Traditional Materials TRAMP-ID: mp-1018129 · Space group: Immm (#71)
Basic Information
Formula
Pt2W
MP-ID
mp-1018129
Elements
2
Sites
3
Density
20.8781
g/cm³
Volume
45.65
ų
Cell a
2.7727
Å
Cell b
3.9644
Å
Cell c
4.8063
Å
α Angle
65.64
°
β Angle
73.24
°
γ Angle
90.00
°
Space Group
Immm
Point Group
mmm
Crystal System
Orthorhombic
Bravais Lattice
oI
Stability
Yes
Packing Fraction
-
X-ray Diffraction
Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 24)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 39.67 | 2.2721 | 100.0 | (1,-1,0) |
| 39.71 | 2.2700 | 49.7 | (0,1,2) |
| 39.71 | 2.2700 | 49.7 | (0,1,-1) |
| 45.77 | 1.9822 | 33.5 | (0,2,1) |
| 46.34 | 1.9592 | 32.2 | (1,0,2) |
| 46.34 | 1.9592 | 32.2 | (1,0,-1) |
| 67.18 | 1.3934 | 10.8 | (1,2,3) |
| 67.18 | 1.3934 | 10.8 | (1,-2,-2) |
| 67.18 | 1.3934 | 10.8 | (1,-2,1) |
| 67.18 | 1.3934 | 10.8 | (1,2,0) |
| 67.57 | 1.3864 | 10.6 | (2,0,1) |
| 67.68 | 1.3844 | 10.5 | (0,0,3) |
| 80.52 | 1.1929 | 13.2 | (1,-3,-1) |
| 80.54 | 1.1926 | 6.6 | (0,3,3) |
| 80.54 | 1.1926 | 6.6 | (0,3,0) |
| 81.32 | 1.1832 | 6.4 | (2,1,3) |
| 81.32 | 1.1832 | 6.4 | (2,-1,2) |
| 81.32 | 1.1832 | 6.4 | (2,-1,-1) |
| 81.32 | 1.1832 | 6.4 | (2,1,0) |
| 81.40 | 1.1823 | 6.4 | (1,1,4) |
| 81.40 | 1.1823 | 12.7 | (1,-1,3) |
| 81.40 | 1.1823 | 6.4 | (1,1,-2) |
| 85.47 | 1.1361 | 11.6 | (2,-2,0) |
| 85.57 | 1.1350 | 5.7 | (0,2,4) |
Energy Properties
Formation Energy/atom
-0.34950
eV/atom
Energy/atom
-51.79725
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-51.7972
eV/atom
Volume/atom
15.22
ų
c/a Ratio
1.7334
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
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Pt · 0.667
Element Family
N/A
Solute Fraction
0.333
Interstitial Fraction
0.000
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.703
Family
Binary Alloy
Matrix Element
Pt · 0.667
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1018129
Reference Citation
The crystal structure and related material properties of Pt2W were obtained from the Materials Project database (MP-ID: mp-1018129, 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
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Raw CIF Data
# generated using pymatgen
data_Pt2W
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.77273250
_cell_length_b 3.96440598
_cell_length_c 4.80632301
_cell_angle_alpha 65.64330510
_cell_angle_beta 73.23502430
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Pt2W
_chemical_formula_sum 'Pt2 W1'
_cell_volume 45.65365034
_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
Pt Pt0 1 0.33677531 0.33677531 0.32644939 1.0
Pt Pt1 1 0.66322469 0.66322469 0.67355061 1.0
W W2 1 -0.00000000 0.00000000 0.00000000 1.0
