TmSb2
Traditional Materials TRAMP-ID: mp-1018120 · Space group: C222 (#21)
Basic Information
Formula
TmSb2
MP-ID
mp-1018120
Elements
2
Sites
3
Density
8.1205
g/cm³
Volume
84.34
ų
Cell a
3.5940
Å
Cell b
3.5940
Å
Cell c
7.6308
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
121.16
°
Space Group
C222
Point Group
222
Crystal System
Orthorhombic
Bravais Lattice
oC
Stability
No
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 |
|---|---|---|---|
| 11.60 | 7.6308 | 12.7 | (0,0,0,1) |
| 28.51 | 3.1305 | 2.4 | (1,-1,0,0) |
| 29.03 | 3.0754 | 22.6 | (1,0,-1,0) |
| 30.87 | 2.8963 | 50.8 | (1,-1,0,1) |
| 31.36 | 2.8525 | 100.0 | (1,0,-1,1) |
| 35.29 | 2.5436 | 39.1 | (0,0,0,3) |
| 37.15 | 2.4201 | 42.7 | (1,-1,0,2) |
| 37.56 | 2.3944 | 51.6 | (1,0,-1,2) |
| 46.32 | 1.9601 | 14.1 | (1,0,-1,3) |
| 47.67 | 1.9077 | 1.4 | (0,0,0,4) |
| 50.82 | 1.7966 | 4.8 | (2,-1,-1,0) |
| 52.31 | 1.7488 | 23.5 | (2,-1,-1,1) |
| 53.26 | 1.7199 | 11.0 | (1,1,-2,1) |
| 56.49 | 1.6291 | 6.0 | (1,-1,0,4) |
| 56.63 | 1.6254 | 15.5 | (2,-1,-1,2) |
| 56.79 | 1.6211 | 20.3 | (1,0,-1,4) |
| 57.52 | 1.6022 | 11.9 | (1,1,-2,2) |
| 59.01 | 1.5653 | 9.0 | (2,-2,0,0) |
| 60.18 | 1.5377 | 17.0 | (2,0,-2,0) |
| 63.38 | 1.4675 | 5.5 | (2,-1,-1,3) |
| 68.38 | 1.3718 | 8.9 | (1,-1,0,5) |
| 68.65 | 1.3671 | 6.9 | (1,0,-1,5) |
| 70.66 | 1.3331 | 10.2 | (2,-2,0,3) |
| 71.72 | 1.3159 | 19.5 | (2,0,-2,3) |
Energy Properties
Formation Energy/atom
-0.40385
eV/atom
Energy/atom
-29.24841
eV/atom
Energy above Hull
0.4577
eV/atom
Uncorrected Energy
-4.4295
eV/atom
Volume/atom
28.11
ų
c/a Ratio
2.1232
Electronic Properties
Metallic
Metal
Band Gap
0
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
0.000000
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Sb · 0.667
Element Family
N/A
Solute Fraction
0.333
Interstitial Fraction
0.000
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.423
Family
Binary Alloy
Matrix Element
Sb · 0.667
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1018120
Reference Citation
The crystal structure and related material properties of TmSb2 were obtained from the Materials Project database (MP-ID: mp-1018120, 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_TmSb2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.59394980
_cell_length_b 3.59394980
_cell_length_c 7.63079100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 121.16125548
_symmetry_Int_Tables_number 1
_chemical_formula_structural TmSb2
_chemical_formula_sum 'Tm1 Sb2'
_cell_volume 84.34170843
_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
Tm Tm0 1 0.00000000 0.00000000 0.00000000 1.0
Sb Sb1 1 0.50000000 0.00000000 0.67901700 1.0
Sb Sb2 1 0.00000000 0.50000000 0.32098300 1.0
