Basic Information
Formula
Dy2V2O7
MP-ID
mp-642823
Elements
3
Sites
22
Density
7.1551
g/cm³
Volume
250.12
ų
Cell a
7.0722
Å
Cell b
7.0722
Å
Cell c
7.0722
Å
α Angle
60.00
°
β Angle
60.00
°
γ Angle
60.00
°
Space Group
Fd-3m
Point Group
m-3m
Crystal System
Cubic
Bravais Lattice
cF
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 19)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 15.34 | 5.7745 | 28.9 | (1,1,1) |
| 29.62 | 3.0156 | 15.9 | (2,2,1) |
| 30.97 | 2.8872 | 100.0 | (2,2,2) |
| 35.92 | 2.5004 | 29.7 | (2,2,0) |
| 39.26 | 2.2945 | 19.9 | (3,2,2) |
| 47.22 | 1.9248 | 9.9 | (3,3,3) |
| 51.70 | 1.7681 | 47.1 | (4,2,2) |
| 54.26 | 1.6906 | 8.9 | (4,3,2) |
| 60.72 | 1.5252 | 2.3 | (4,4,3) |
| 61.50 | 1.5078 | 40.9 | (4,4,2) |
| 64.56 | 1.4436 | 9.3 | (4,4,4) |
| 66.80 | 1.4005 | 4.5 | (5,3,3) |
| 72.61 | 1.3021 | 4.4 | (5,4,4) |
| 76.14 | 1.2502 | 6.6 | (4,4,0) |
| 78.24 | 1.2219 | 3.2 | (5,5,3) |
| 83.75 | 1.1549 | 3.4 | (5,5,5) |
| 84.44 | 1.1473 | 16.7 | (6,4,4) |
| 87.17 | 1.1182 | 13.5 | (6,4,2) |
| 89.21 | 1.0978 | 4.3 | (6,5,4) |
Energy Properties
Formation Energy/atom
-3.23567
eV/atom
Energy/atom
-8.87570
eV/atom
Energy above Hull
0.0133
eV/atom
Uncorrected Energy
-15.4453
eV/atom
Volume/atom
11.37
ų
c/a Ratio
1.0000
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
4.0000
μB
Mag. Ordering
FM
Mag. Sites
4
Magnetization/Volume
0.015990
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
O · 0.636
Element Family
N/A
Solute Fraction
0.364
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
B
Score
0.553
Family
O-rich Multi-Component
Matrix Element
O · 0.636
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-642823
Reference Citation
The crystal structure and related material properties of Dy2V2O7 were obtained from the Materials Project database (MP-ID: mp-642823, 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_Dy2V2O7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.07224321
_cell_length_b 7.07224321
_cell_length_c 7.07224321
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Dy2V2O7
_chemical_formula_sum 'Dy4 V4 O14'
_cell_volume 250.12469022
_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
Dy Dy0 1 0.62500000 0.12500000 0.12500000 1.0
Dy Dy1 1 0.12500000 0.62500000 0.12500000 1.0
Dy Dy2 1 0.12500000 0.12500000 0.62500000 1.0
Dy Dy3 1 0.12500000 0.12500000 0.12500000 1.0
V V4 1 0.12500000 0.62500000 0.62500000 1.0
V V5 1 0.62500000 0.62500000 0.12500000 1.0
V V6 1 0.62500000 0.62500000 0.62500000 1.0
V V7 1 0.62500000 0.12500000 0.62500000 1.0
O O8 1 0.54478231 0.95521769 0.54478231 1.0
O O9 1 0.95521769 0.95521769 0.54478231 1.0
O O10 1 0.95521769 0.54478231 0.95521769 1.0
O O11 1 0.00000000 0.00000000 0.00000000 1.0
O O12 1 0.95521769 0.54478231 0.54478231 1.0
O O13 1 0.29478231 0.70521769 0.70521769 1.0
O O14 1 0.25000000 0.25000000 0.25000000 1.0
O O15 1 0.54478231 0.54478231 0.95521769 1.0
O O16 1 0.29478231 0.70521769 0.29478231 1.0
O O17 1 0.70521769 0.70521769 0.29478231 1.0
O O18 1 0.54478231 0.95521769 0.95521769 1.0
O O19 1 0.70521769 0.29478231 0.70521769 1.0
O O20 1 0.29478231 0.29478231 0.70521769 1.0
O O21 1 0.70521769 0.29478231 0.29478231 1.0
