MgGeO3
Elasticity Data ELAMP-ID: mp-1016827 · Space group: Pm-3m (#221)
Basic Information
Formula
MgGeO3
MP-ID
mp-1016827
Elements
3
Sites
5
Density
4.6823
g/cm³
Volume
51.40
ų
Cell a
3.7182
Å
Cell b
3.7182
Å
Cell c
3.7182
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
Pm-3m
Point Group
m-3m
Crystal System
Cubic
Bravais Lattice
cP
Stability
No
Packing Fraction
0.5236
X-ray Diffraction
Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 8)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 23.93 | 3.7182 | 79.3 | (1,0,0) |
| 34.10 | 2.6292 | 100.0 | (1,1,0) |
| 49.00 | 1.8591 | 52.4 | (2,0,0) |
| 55.24 | 1.6628 | 28.2 | (2,1,0) |
| 61.04 | 1.5179 | 38.6 | (2,1,1) |
| 71.81 | 1.3146 | 29.0 | (2,2,0) |
| 76.93 | 1.2394 | 12.4 | (3,0,0) |
| 81.94 | 1.1758 | 16.8 | (3,1,0) |
Energy Properties
Formation Energy/atom
-2.04078
eV/atom
Energy/atom
-6.26026
eV/atom
Energy above Hull
0.5250
eV/atom
Uncorrected Energy
-5.8481
eV/atom
Volume/atom
10.28
ų
c/a Ratio
1.0000
Electronic Properties
Metallic
Non-metal
Band Gap
1.086
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0003
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000010
μB/ų
Elastic Properties
KVRH
185.850
GPa
GVRH
100.868
GPa
Young's Modulus E
256.246
GPa
Poisson Ratio ν
0.270
Pugh Ratio K/G
1.843
Vickers Hardness Est.
11.544
GPa
Ductility
Brittle
Anisotropy
0.027
Lame λ
118.605
GPa
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
O · 0.600
Element Family
Metalloid-Nonmetal
Solute Fraction
0.400
Interstitial Fraction
0.000
Elasticity Features
Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
0.0270
Homogeneous Poisson ν
0.2700
Debye Temperature
808.5
K
Sound Velocity
5,165.2
m/s
Homogeneity
0.2700
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1016827
Reference Citation
The crystal structure and related material properties of MgGeO3 were obtained from the Materials Project database (MP-ID: mp-1016827, 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_MgGeO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.71817300
_cell_length_b 3.71817300
_cell_length_c 3.71817300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural MgGeO3
_chemical_formula_sum 'Mg1 Ge1 O3'
_cell_volume 51.40303697
_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 0.00000000 1.0
Ge Ge1 1 0.50000000 0.50000000 0.50000000 1.0
O O2 1 0.50000000 0.50000000 0.00000000 1.0
O O3 1 0.50000000 0.00000000 0.50000000 1.0
O O4 1 0.00000000 0.50000000 0.50000000 1.0
