Basic Information
Formula
ZnWO2
MP-ID
mp-1048324
Elements
3
Sites
16
Density
7.9285
g/cm³
Volume
235.62
ų
Cell a
3.2574
Å
Cell b
8.2874
Å
Cell c
9.6144
Å
α Angle
65.23
°
β Angle
88.91
°
γ Angle
89.03
°
Space Group
P-1
Point Group
-1
Crystal System
Triclinic
Bravais Lattice
aP
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 |
|---|---|---|---|
| 11.76 | 7.5247 | 2.6 | (0,1,0) |
| 11.88 | 7.4465 | 100.0 | (0,1,1) |
| 18.51 | 4.7927 | 72.2 | (0,1,-1) |
| 18.75 | 4.7323 | 51.4 | (0,1,2) |
| 20.35 | 4.3646 | 13.7 | (0,0,2) |
| 21.45 | 4.1427 | 33.3 | (0,2,1) |
| 23.90 | 3.7233 | 49.0 | (0,2,2) |
| 27.59 | 3.2333 | 4.7 | (0,1,-2) |
| 27.86 | 3.2022 | 10.9 | (0,1,3) |
| 29.14 | 3.0644 | 5.1 | (1,0,1) |
| 29.40 | 3.0382 | 4.0 | (1,0,-1) |
| 29.53 | 3.0252 | 77.1 | (0,2,-1) |
| 29.71 | 3.0070 | 1.2 | (1,1,1) |
| 29.79 | 2.9995 | 6.0 | (1,1,0) |
| 29.94 | 2.9847 | 27.9 | (0,2,3) |
| 30.01 | 2.9781 | 5.7 | (1,-1,0) |
| 30.18 | 2.9611 | 4.4 | (1,-1,-1) |
| 30.73 | 2.9098 | 98.7 | (0,0,3) |
| 32.76 | 2.7336 | 5.5 | (0,3,1) |
| 33.07 | 2.7087 | 53.0 | (1,1,2) |
| 33.25 | 2.6948 | 31.9 | (1,-1,1) |
| 33.28 | 2.6925 | 45.0 | (1,1,-1) |
| 33.73 | 2.6576 | 48.8 | (1,-1,-2) |
| 34.13 | 2.6267 | 42.2 | (1,0,2) |
Energy Properties
Formation Energy/atom
-1.23311
eV/atom
Energy/atom
-7.26155
eV/atom
Energy above Hull
0.4261
eV/atom
Uncorrected Energy
-5.8086
eV/atom
Volume/atom
14.73
ų
c/a Ratio
2.9516
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
9.9315
μB
Mag. Ordering
FM
Mag. Sites
4
Magnetization/Volume
0.042150
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
O · 0.500
Element Family
N/A
Solute Fraction
0.500
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
C
Score
0.309
Family
O-rich Multi-Component
Matrix Element
O · 0.500
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1048324
Reference Citation
The crystal structure and related material properties of ZnWO2 were obtained from the Materials Project database (MP-ID: mp-1048324, 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
|
Drag to rotate · Scroll to zoom · Right-click to pan
Raw CIF Data
# generated using pymatgen
data_ZnWO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.25740100
_cell_length_b 8.28741570
_cell_length_c 9.61441319
_cell_angle_alpha 65.23223389
_cell_angle_beta 88.91211249
_cell_angle_gamma 89.03324091
_symmetry_Int_Tables_number 1
_chemical_formula_structural ZnWO2
_chemical_formula_sum 'Zn4 W4 O8'
_cell_volume 235.61671786
_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
Zn Zn0 1 0.77729100 0.09379000 0.64503400 1.0
Zn Zn1 1 0.22270900 0.90621000 0.35496600 1.0
Zn Zn2 1 0.71483200 0.16968000 0.30240100 1.0
Zn Zn3 1 0.28516800 0.83032000 0.69759900 1.0
W W4 1 0.75242500 0.54989900 0.63195000 1.0
W W5 1 0.24877200 0.18910900 0.96764700 1.0
W W6 1 0.75122800 0.81089100 0.03235300 1.0
W W7 1 0.24757500 0.45010100 0.36805000 1.0
O O8 1 0.77718500 0.57673900 0.22004400 1.0
O O9 1 0.28686500 0.75113100 0.92992900 1.0
O O10 1 0.71313500 0.24886900 0.07007100 1.0
O O11 1 0.22281500 0.42326100 0.77995600 1.0
O O12 1 0.25731200 0.64437800 0.46433000 1.0
O O13 1 0.75922600 0.08371500 0.87816200 1.0
O O14 1 0.74268800 0.35562200 0.53567000 1.0
O O15 1 0.24077400 0.91628500 0.12183800 1.0
