Mg3W
Traditional Materials TRAMP-ID: mp-1016257 · Space group: Pmm2 (#25)
Basic Information
Formula
Mg3W
MP-ID
mp-1016257
Elements
2
Sites
4
Density
5.6331
g/cm³
Volume
75.69
ų
Cell a
2.8550
Å
Cell b
4.9147
Å
Cell c
5.3942
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
Pmm2
Point Group
mm2
Crystal System
Orthorhombic
Bravais Lattice
oP
Stability
No
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 |
|---|---|---|---|
| 16.43 | 5.3942 | 100.0 | (0,0,1) |
| 18.05 | 4.9147 | 75.0 | (0,1,0) |
| 24.50 | 3.6329 | 68.1 | (0,1,1) |
| 31.33 | 2.8550 | 19.9 | (1,0,0) |
| 33.22 | 2.6971 | 21.2 | (0,0,2) |
| 35.58 | 2.5233 | 44.9 | (1,0,1) |
| 36.39 | 2.4687 | 26.9 | (1,1,0) |
| 36.57 | 2.4573 | 36.8 | (0,2,0) |
| 38.06 | 2.3645 | 60.0 | (0,1,2) |
| 40.17 | 2.2448 | 89.9 | (1,1,1) |
| 40.33 | 2.2362 | 21.9 | (0,2,1) |
| 46.31 | 1.9606 | 12.5 | (1,0,2) |
| 48.90 | 1.8625 | 11.9 | (1,2,0) |
| 50.09 | 1.8210 | 24.5 | (1,1,2) |
| 50.23 | 1.8165 | 13.5 | (0,2,2) |
| 50.78 | 1.7981 | 4.8 | (0,0,3) |
| 51.94 | 1.7605 | 30.8 | (1,2,1) |
| 54.33 | 1.6886 | 9.8 | (0,1,3) |
| 56.14 | 1.6382 | 4.0 | (0,3,0) |
| 58.92 | 1.5675 | 6.4 | (0,3,1) |
| 60.40 | 1.5326 | 11.6 | (1,2,2) |
| 60.89 | 1.5215 | 15.6 | (1,0,3) |
| 64.07 | 1.4534 | 12.1 | (1,1,3) |
| 64.18 | 1.4511 | 4.8 | (0,2,3) |
Energy Properties
Formation Energy/atom
0.44810
eV/atom
Energy/atom
-15.52082
eV/atom
Energy above Hull
0.4481
eV/atom
Uncorrected Energy
-3.9916
eV/atom
Volume/atom
18.92
ų
c/a Ratio
1.8894
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0013
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000020
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Mg · 0.750
Element Family
N/A
Solute Fraction
0.250
Interstitial Fraction
0.000
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.686
Family
Mg-based Alloy
Matrix Element
Mg · 0.750
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1016257
Reference Citation
The crystal structure and related material properties of Mg3W were obtained from the Materials Project database (MP-ID: mp-1016257, 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_Mg3W
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.85495100
_cell_length_b 4.91468500
_cell_length_c 5.39423400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Mg3W
_chemical_formula_sum 'Mg3 W1'
_cell_volume 75.68749441
_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
Mg Mg0 1 0.00000000 0.00000000 0.65438200 1.0
Mg Mg1 1 0.00000000 0.50000000 0.32686700 1.0
Mg Mg2 1 0.50000000 0.50000000 0.86509500 1.0
W W3 1 0.50000000 0.00000000 0.15365700 1.0
