Na2TiGeO5
Elasticity Data ELAMP-ID: mp-6228 · Space group: P4/nmm (#129)
Basic Information
Formula
Na2TiGeO5
MP-ID
mp-6228
Elements
4
Sites
18
Density
3.4622
g/cm³
Volume
236.44
ų
Cell a
6.7185
Å
Cell b
6.7185
Å
Cell c
5.2381
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
P4/nmm
Point Group
4/mmm
Crystal System
Tetragonal
Bravais Lattice
tP
Stability
Yes
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 |
|---|---|---|---|
| 16.93 | 5.2381 | 37.1 | (0,0,1) |
| 18.68 | 4.7507 | 3.5 | (1,1,0) |
| 21.51 | 4.1309 | 8.7 | (1,0,1) |
| 25.31 | 3.5190 | 8.9 | (1,1,1) |
| 26.53 | 3.3593 | 25.3 | (2,0,0) |
| 31.64 | 2.8277 | 100.0 | (2,0,1) |
| 34.24 | 2.6190 | 5.2 | (0,0,2) |
| 34.41 | 2.6063 | 5.5 | (2,1,1) |
| 36.83 | 2.4402 | 7.1 | (1,0,2) |
| 37.88 | 2.3754 | 17.8 | (2,2,0) |
| 39.28 | 2.2936 | 5.3 | (1,1,2) |
| 41.75 | 2.1633 | 3.9 | (2,2,1) |
| 43.83 | 2.0655 | 2.1 | (2,0,2) |
| 43.97 | 2.0592 | 3.7 | (3,0,1) |
| 46.10 | 1.9688 | 2.3 | (3,1,1) |
| 51.97 | 1.7595 | 26.7 | (2,2,2) |
| 53.86 | 1.7021 | 3.3 | (3,0,2) |
| 54.28 | 1.6899 | 1.7 | (1,0,3) |
| 54.64 | 1.6796 | 19.1 | (4,0,0) |
| 55.71 | 1.6500 | 6.8 | (3,1,2) |
| 56.12 | 1.6388 | 2.0 | (1,1,3) |
| 57.63 | 1.5994 | 4.4 | (4,0,1) |
| 59.68 | 1.5493 | 9.5 | (2,0,3) |
| 61.42 | 1.5096 | 5.2 | (2,1,3) |
Energy Properties
Formation Energy/atom
-2.61335
eV/atom
Energy/atom
-7.05133
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-6.6697
eV/atom
Volume/atom
13.14
ų
c/a Ratio
0.7796
Electronic Properties
Metallic
Non-metal
Band Gap
3.239
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0011
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų
Elastic Properties
KVRH
82.829
GPa
GVRH
43.090
GPa
Young's Modulus E
110.166
GPa
Poisson Ratio ν
0.278
Pugh Ratio K/G
1.922
Vickers Hardness Est.
5.416
GPa
Ductility
Brittle
Anisotropy
0.190
Lame λ
54.102
GPa
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
O · 0.556
Element Family
Metalloid-Nonmetal
Solute Fraction
0.444
Interstitial Fraction
0.000
Elasticity Features
Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
0.1900
Homogeneous Poisson ν
0.2780
Debye Temperature
565.0
K
Sound Velocity
3,929.9
m/s
Homogeneity
0.2780
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-6228
Reference Citation
The crystal structure and related material properties of Na2TiGeO5 were obtained from the Materials Project database (MP-ID: mp-6228, 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_Na2TiGeO5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.71854400
_cell_length_b 6.71854400
_cell_length_c 5.23806000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Na2TiGeO5
_chemical_formula_sum 'Na4 Ti2 Ge2 O10'
_cell_volume 236.43991810
_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
Na Na0 1 0.75000000 0.25000000 0.00000000 1.0
Na Na1 1 0.75000000 0.75000000 0.00000000 1.0
Na Na2 1 0.25000000 0.75000000 0.00000000 1.0
Na Na3 1 0.25000000 0.25000000 0.00000000 1.0
Ti Ti4 1 0.50000000 0.00000000 0.57238900 1.0
Ti Ti5 1 0.00000000 0.50000000 0.42761100 1.0
Ge Ge6 1 0.50000000 0.50000000 0.50000000 1.0
Ge Ge7 1 0.00000000 0.00000000 0.50000000 1.0
O O8 1 0.21610200 0.00000000 0.69447200 1.0
O O9 1 0.78389800 0.00000000 0.69447200 1.0
O O10 1 0.50000000 0.71610200 0.69447200 1.0
O O11 1 0.50000000 0.28389800 0.69447200 1.0
O O12 1 0.00000000 0.21610200 0.30552800 1.0
O O13 1 0.71610200 0.50000000 0.30552800 1.0
O O14 1 0.28389800 0.50000000 0.30552800 1.0
O O15 1 0.00000000 0.78389800 0.30552800 1.0
O O16 1 0.00000000 0.50000000 0.75577200 1.0
O O17 1 0.50000000 0.00000000 0.24422800 1.0
