TbSb2
Traditional Materials TRAMP-ID: mp-1018127 · Space group: C222 (#21)
Basic Information
Formula
TbSb2
MP-ID
mp-1018127
Elements
2
Sites
3
Density
7.7625
g/cm³
Volume
86.09
ų
Cell a
3.6619
Å
Cell b
3.6619
Å
Cell c
7.5291
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
121.49
°
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 |
|---|---|---|---|
| 11.75 | 7.5291 | 6.4 | (0,0,0,1) |
| 27.93 | 3.1948 | 3.4 | (1,-1,0,0) |
| 28.59 | 3.1226 | 21.6 | (1,0,-1,0) |
| 30.39 | 2.9410 | 54.2 | (1,-1,0,1) |
| 31.00 | 2.8844 | 100.0 | (1,0,-1,1) |
| 35.78 | 2.5097 | 38.1 | (0,0,0,3) |
| 36.90 | 2.4359 | 38.5 | (1,-1,0,2) |
| 37.42 | 2.4034 | 54.9 | (1,0,-1,2) |
| 45.99 | 1.9736 | 1.6 | (1,-1,0,3) |
| 46.42 | 1.9562 | 11.9 | (1,0,-1,3) |
| 49.82 | 1.8303 | 4.7 | (2,-1,-1,0) |
| 51.38 | 1.7785 | 24.0 | (2,-1,-1,1) |
| 52.56 | 1.7410 | 11.6 | (1,1,-2,1) |
| 55.85 | 1.6461 | 17.0 | (2,-1,-1,2) |
| 56.77 | 1.6217 | 7.5 | (1,-1,0,4) |
| 56.98 | 1.6162 | 10.8 | (1,1,-2,2) |
| 57.14 | 1.6120 | 18.7 | (1,0,-1,4) |
| 57.71 | 1.5974 | 9.5 | (2,-2,0,0) |
| 59.18 | 1.5613 | 17.6 | (2,0,-2,0) |
| 62.84 | 1.4788 | 4.8 | (2,-1,-1,3) |
| 68.94 | 1.3621 | 7.1 | (1,-1,0,5) |
| 69.28 | 1.3563 | 7.9 | (1,0,-1,5) |
| 69.79 | 1.3476 | 10.6 | (2,-2,0,3) |
| 71.12 | 1.3257 | 20.1 | (2,0,-2,3) |
Energy Properties
Formation Energy/atom
-0.37101
eV/atom
Energy/atom
-27.91737
eV/atom
Energy above Hull
0.5547
eV/atom
Uncorrected Energy
-4.5025
eV/atom
Volume/atom
28.70
ų
c/a Ratio
2.0561
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0010
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000010
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-1018127
Reference Citation
The crystal structure and related material properties of TbSb2 were obtained from the Materials Project database (MP-ID: mp-1018127, 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_TbSb2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.66187095
_cell_length_b 3.66187095
_cell_length_c 7.52904600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 121.49060028
_symmetry_Int_Tables_number 1
_chemical_formula_structural TbSb2
_chemical_formula_sum 'Tb1 Sb2'
_cell_volume 86.09054557
_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
Tb Tb0 1 0.00000000 0.00000000 0.00000000 1.0
Sb Sb1 1 0.50000000 0.00000000 0.67303900 1.0
Sb Sb2 1 0.00000000 0.50000000 0.32696100 1.0
