Tm3Ga5
Traditional Materials TRAMP-ID: mp-30677 · Space group: Pnma (#62)
Basic Information
Formula
Tm3Ga5
MP-ID
mp-30677
Elements
2
Sites
32
Density
8.8608
g/cm³
Volume
641.23
ų
Cell a
6.0045
Å
Cell b
9.4857
Å
Cell c
11.2582
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
Pnma
Point Group
mmm
Crystal System
Orthorhombic
Bravais Lattice
oP
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 |
|---|---|---|---|
| 17.48 | 5.0735 | 3.5 | (1,1,0) |
| 18.33 | 4.8409 | 1.8 | (0,1,2) |
| 18.71 | 4.7429 | 3.2 | (0,2,0) |
| 23.61 | 3.7687 | 3.2 | (1,1,2) |
| 24.54 | 3.6271 | 7.0 | (0,2,2) |
| 25.20 | 3.5338 | 34.4 | (1,2,1) |
| 28.04 | 3.1823 | 14.5 | (1,0,3) |
| 28.76 | 3.1046 | 58.6 | (1,2,2) |
| 29.61 | 3.0171 | 5.0 | (1,1,3) |
| 30.82 | 2.9009 | 46.9 | (2,0,1) |
| 31.79 | 2.8145 | 17.3 | (0,0,4) |
| 31.99 | 2.7977 | 6.0 | (1,3,0) |
| 32.27 | 2.7741 | 33.1 | (2,1,1) |
| 32.48 | 2.7568 | 34.5 | (0,3,2) |
| 33.20 | 2.6983 | 21.5 | (0,1,4) |
| 33.92 | 2.6426 | 83.7 | (1,2,3) |
| 35.17 | 2.5514 | 2.6 | (2,1,2) |
| 35.22 | 2.5485 | 49.3 | (1,0,4) |
| 35.38 | 2.5367 | 7.2 | (2,2,0) |
| 35.84 | 2.5053 | 8.3 | (1,3,2) |
| 36.30 | 2.4747 | 100.0 | (2,2,1) |
| 36.51 | 2.4612 | 13.3 | (1,1,4) |
| 37.14 | 2.4204 | 72.3 | (0,2,4) |
| 37.94 | 2.3714 | 87.7 | (0,4,0) |
Energy Properties
Formation Energy/atom
-0.71388
eV/atom
Energy/atom
-21.03601
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-21.0360
eV/atom
Volume/atom
20.04
ų
c/a Ratio
1.8750
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
Ga · 0.625
Element Family
N/A
Solute Fraction
0.375
Interstitial Fraction
0.000
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.599
Family
Binary Alloy
Matrix Element
Ga · 0.625
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-30677
Reference Citation
The crystal structure and related material properties of Tm3Ga5 were obtained from the Materials Project database (MP-ID: mp-30677, 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_Tm3Ga5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.00450280
_cell_length_b 9.48572251
_cell_length_c 11.25817268
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Tm3Ga5
_chemical_formula_sum 'Tm12 Ga20'
_cell_volume 641.23227465
_cell_formula_units_Z 4
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 0.34881697 0.75000000 0.92440048 1.0
Tm Tm1 1 0.84881697 0.25000000 0.57559952 1.0
Tm Tm2 1 0.65118303 0.25000000 0.07559952 1.0
Tm Tm3 1 0.15118303 0.75000000 0.42440048 1.0
Tm Tm4 1 0.88972665 0.01007645 0.85178010 1.0
Tm Tm5 1 0.38972665 0.98992355 0.64821990 1.0
Tm Tm6 1 0.11027435 0.51007645 0.14821990 1.0
Tm Tm7 1 0.61027335 0.48992355 0.35178010 1.0
Tm Tm8 1 0.11027435 0.98992355 0.14821990 1.0
Tm Tm9 1 0.61027335 0.01007645 0.35178010 1.0
Tm Tm10 1 0.88972665 0.48992355 0.85178010 1.0
Tm Tm11 1 0.38972665 0.51007645 0.64821990 1.0
Ga Ga12 1 0.62666995 0.75000000 0.49453695 1.0
Ga Ga13 1 0.12666995 0.25000000 0.00546305 1.0
Ga Ga14 1 0.37333005 0.25000000 0.50546305 1.0
Ga Ga15 1 0.87333005 0.75000000 0.99453695 1.0
Ga Ga16 1 0.67574316 0.75000000 0.74759502 1.0
Ga Ga17 1 0.17574316 0.25000000 0.75240498 1.0
Ga Ga18 1 0.32425684 0.25000000 0.25240498 1.0
Ga Ga19 1 0.82425684 0.75000000 0.24759502 1.0
Ga Ga20 1 0.10166835 0.75000000 0.69921345 1.0
Ga Ga21 1 0.60166835 0.25000000 0.80078655 1.0
Ga Ga22 1 0.89833165 0.25000000 0.30078655 1.0
Ga Ga23 1 0.39833165 0.75000000 0.19921345 1.0
Ga Ga24 1 0.87355498 0.94676563 0.59057927 1.0
Ga Ga25 1 0.37355498 0.05323437 0.90942073 1.0
Ga Ga26 1 0.12644502 0.44676563 0.40942073 1.0
Ga Ga27 1 0.62644502 0.55323437 0.09057927 1.0
Ga Ga28 1 0.12644502 0.05323437 0.40942073 1.0
Ga Ga29 1 0.62644502 0.94676563 0.09057927 1.0
Ga Ga30 1 0.87355498 0.55323437 0.59057927 1.0
Ga Ga31 1 0.37355498 0.44676563 0.90942073 1.0
