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HEAS Data Platform · Materials Science Database

Re2W

传统材料 TRA

MP-ID: mp-1102921 · Space group: P6_3/mmc (#194)

Materials Project API

Basic Information

Formula
Re2W
MP-ID
mp-1102921
Elements
2
Sites
12
Density
19.3020
g/cm³
Volume
191.42
ų
Cell a
5.1353
Å
Cell b
5.1353
Å
Cell c
8.3814
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.00
°
Space Group
P6_3/mmc
Point Group
6/mmm
Crystal System
Hexagonal
Bravais Lattice
hP
Stability
No
Packing Fraction
0.7405

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 24)
2θd (Å)Ihkl
19.96 4.4473 4.4 (1,0,-1,0)
21.20 4.1907 3.9 (0,0,0,2)
22.63 3.9285 2.6 (1,0,-1,1)
34.94 2.5677 28.2 (2,-1,-1,0)
38.04 2.3657 75.0 (1,0,-1,3)
40.57 2.2237 10.4 (2,0,-2,0)
41.23 2.1894 100.0 (2,-1,-1,2)
42.04 2.1493 31.0 (2,-2,0,1)
42.04 2.1493 62.1 (2,0,-2,1)
43.17 2.0954 19.3 (0,0,0,4)
46.22 1.9643 22.3 (2,0,-2,2)
48.00 1.8955 13.0 (1,0,-1,4)
52.60 1.7398 4.2 (2,0,-2,3)
54.60 1.6809 2.3 (3,-1,-2,0)
62.67 1.4824 5.2 (3,0,-3,0)
64.72 1.4403 17.9 (3,-1,-2,3)
64.72 1.4403 8.9 (2,1,-3,3)
66.96 1.3976 24.6 (3,0,-3,2)
66.99 1.3969 4.8 (0,0,0,6)
70.33 1.3386 31.7 (2,0,-2,5)
70.68 1.3327 3.8 (1,0,-1,6)
72.03 1.3112 8.2 (3,-1,-2,4)
72.03 1.3112 4.1 (2,1,-3,4)
73.81 1.2838 29.4 (4,-2,-2,0)
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Energy Properties

Formation Energy/atom
0.19373
eV/atom
Energy/atom
-51.86928
eV/atom
Energy above Hull
0.1937
eV/atom
Uncorrected Energy
-12.4220
eV/atom
Volume/atom
15.95
ų
c/a Ratio
1.6321

Electronic Properties

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

Magnetic Properties

Magnetic
No
Total Mag. Moment
0.0002
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų

Elastic Properties

Elastic data not available

Feature Analysis

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Re · 0.667
Element Family
N/A
Solute Fraction
0.333
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.573
Family
Binary Alloy
Matrix Element
Re · 0.667

Related Tasks

Related computation task IDs (5)
aaadcwez aaadncku aaadsvhr aaaeubxg aaafwzke

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-1102921
Reference Citation

The crystal structure and related material properties of Re2W were obtained from the Materials Project database (MP-ID: mp-1102921, 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…

Style: Ball & Stick
Raw CIF Data 
# generated using pymatgen
data_Re2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.13529035
_cell_length_b   5.13529035
_cell_length_c   8.38143600
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000451
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Re2W
_chemical_formula_sum   'Re8 W4'
_cell_volume   191.41635961
_cell_formula_units_Z   4
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
  Re  Re0  1  0.00000000  0.00000000  0.50000000  1.0
  Re  Re1  1  0.00000000  0.00000000  0.00000000  1.0
  Re  Re2  1  0.82760500  0.17239500  0.25000000  1.0
  Re  Re3  1  0.82760500  0.65521000  0.25000000  1.0
  Re  Re4  1  0.34479000  0.17239500  0.25000000  1.0
  Re  Re5  1  0.17239500  0.82760500  0.75000000  1.0
  Re  Re6  1  0.17239500  0.34479000  0.75000000  1.0
  Re  Re7  1  0.65521000  0.82760500  0.75000000  1.0
  W  W8  1  0.33333300  0.66666700  0.43335100  1.0
  W  W9  1  0.66666700  0.33333300  0.56664900  1.0
  W  W10  1  0.66666700  0.33333300  0.93335100  1.0
  W  W11  1  0.33333300  0.66666700  0.06664900  1.0
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