TmGe
Traditional Materials TRAMP-ID: mp-998911 · Space group: Cmcm (#63)
Basic Information
Formula
TmGe
MP-ID
mp-998911
Elements
2
Sites
4
Density
9.3234
g/cm³
Volume
86.05
ų
Cell a
3.9029
Å
Cell b
4.1836
Å
Cell c
5.6701
Å
α Angle
111.65
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
Cmcm
Point Group
mmm
Crystal System
Orthorhombic
Bravais Lattice
oC
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 |
|---|---|---|---|
| 22.87 | 3.8885 | 8.1 | (0,1,-1) |
| 28.46 | 3.1365 | 24.2 | (1,0,1) |
| 32.50 | 2.7547 | 100.0 | (1,1,-1) |
| 33.30 | 2.6905 | 32.3 | (0,1,-2) |
| 34.02 | 2.6351 | 32.3 | (0,0,2) |
| 40.73 | 2.2152 | 25.0 | (1,1,-2) |
| 40.73 | 2.2152 | 25.0 | (1,1,1) |
| 41.34 | 2.1839 | 12.5 | (1,0,2) |
| 43.25 | 2.0918 | 24.1 | (0,2,-1) |
| 46.54 | 1.9514 | 19.5 | (2,0,0) |
| 52.46 | 1.7441 | 1.9 | (2,1,-1) |
| 52.59 | 1.7403 | 9.2 | (1,2,-2) |
| 54.09 | 1.6956 | 13.8 | (1,1,-3) |
| 56.14 | 1.6383 | 15.5 | (0,2,-3) |
| 57.53 | 1.6019 | 6.7 | (1,0,3) |
| 58.42 | 1.5797 | 6.5 | (2,1,-2) |
| 58.42 | 1.5797 | 6.5 | (2,1,1) |
| 58.89 | 1.5682 | 13.4 | (2,0,2) |
| 61.37 | 1.5106 | 7.7 | (1,2,-3) |
| 65.40 | 1.4269 | 14.1 | (2,2,-1) |
| 65.93 | 1.4168 | 5.8 | (0,1,-4) |
| 65.93 | 1.4168 | 5.8 | (0,1,3) |
| 70.74 | 1.3318 | 2.5 | (1,1,-4) |
| 71.62 | 1.3175 | 1.1 | (0,0,4) |
Energy Properties
Formation Energy/atom
-0.83554
eV/atom
Energy/atom
-5.38830
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-25.4391
eV/atom
Volume/atom
21.51
ų
c/a Ratio
1.4528
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
0.0000
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Tm · 0.500
Element Family
N/A
Solute Fraction
0.500
Interstitial Fraction
0.000
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.624
Family
Binary Alloy
Matrix Element
Tm · 0.500
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-998911
Reference Citation
The crystal structure and related material properties of TmGe were obtained from the Materials Project database (MP-ID: mp-998911, 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_TmGe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.90287112
_cell_length_b 4.18360173
_cell_length_c 5.67011070
_cell_angle_alpha 111.64885378
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural TmGe
_chemical_formula_sum 'Tm2 Ge2'
_cell_volume 86.05138082
_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
Tm Tm0 1 0.25000000 0.13823128 0.27646256 1.0
Tm Tm1 1 0.75000000 0.86176872 0.72353744 1.0
Ge Ge2 1 0.25000000 0.41296325 0.82592449 1.0
Ge Ge3 1 0.75000000 0.58703675 0.17407551 1.0
