Basic Information
Formula
Gd2Mo2O7
MP-ID
mp-642754
Elements
3
Sites
22
Density
7.4073
g/cm³
Volume
277.25
ų
Cell a
7.3192
Å
Cell b
7.3192
Å
Cell c
7.3192
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
Yes
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 13)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 14.82 | 5.9761 | 4.7 | (1,1,1) |
| 28.60 | 3.1209 | 2.0 | (2,2,1) |
| 29.90 | 2.9880 | 100.0 | (2,2,2) |
| 34.66 | 2.5877 | 32.3 | (2,2,0) |
| 37.89 | 2.3747 | 5.6 | (3,1,1) |
| 45.54 | 1.9920 | 2.3 | (3,3,3) |
| 49.84 | 1.8298 | 47.1 | (4,2,2) |
| 52.29 | 1.7496 | 1.7 | (4,3,2) |
| 59.21 | 1.5605 | 42.3 | (4,4,2) |
| 62.13 | 1.4940 | 9.7 | (4,4,4) |
| 73.14 | 1.2939 | 6.8 | (4,4,0) |
| 80.98 | 1.1873 | 17.4 | (6,2,2) |
| 83.54 | 1.1573 | 14.0 | (6,4,2) |
Energy Properties
Formation Energy/atom
-2.87982
eV/atom
Energy/atom
-10.55975
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-19.3073
eV/atom
Volume/atom
12.60
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
36.0000
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.129850
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
A
Score
0.601
Family
O-rich Multi-Component
Matrix Element
O · 0.636
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-642754
Reference Citation
The crystal structure and related material properties of Gd2Mo2O7 were obtained from the Materials Project database (MP-ID: mp-642754, 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_Gd2Mo2O7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.31917700
_cell_length_b 7.31917700
_cell_length_c 7.31917700
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Gd2Mo2O7
_chemical_formula_sum 'Gd4 Mo4 O14'
_cell_volume 277.25012579
_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
Gd Gd0 1 0.62500000 0.12500000 0.12500000 1.0
Gd Gd1 1 0.12500000 0.62500000 0.12500000 1.0
Gd Gd2 1 0.12500000 0.12500000 0.62500000 1.0
Gd Gd3 1 0.12500000 0.12500000 0.12500000 1.0
Mo Mo4 1 0.12500000 0.62500000 0.62500000 1.0
Mo Mo5 1 0.62500000 0.12500000 0.62500000 1.0
Mo Mo6 1 0.62500000 0.62500000 0.12500000 1.0
Mo Mo7 1 0.62500000 0.62500000 0.62500000 1.0
O O8 1 0.70963300 0.70963300 0.29036700 1.0
O O9 1 0.29036700 0.29036700 0.70963300 1.0
O O10 1 0.70963300 0.29036700 0.70963300 1.0
O O11 1 0.29036700 0.70963300 0.29036700 1.0
O O12 1 0.29036700 0.70963300 0.70963300 1.0
O O13 1 0.70963300 0.29036700 0.29036700 1.0
O O14 1 0.54036700 0.54036700 0.95963300 1.0
O O15 1 0.95963300 0.95963300 0.54036700 1.0
O O16 1 0.54036700 0.95963300 0.54036700 1.0
O O17 1 0.95963300 0.54036700 0.95963300 1.0
O O18 1 0.95963300 0.54036700 0.54036700 1.0
O O19 1 0.54036700 0.95963300 0.95963300 1.0
O O20 1 0.25000000 0.25000000 0.25000000 1.0
O O21 1 -0.00000000 0.00000000 0.00000000 1.0
