Basic Information
Formula
TbCoSn2
MP-ID
mp-30911
Elements
3
Sites
8
Density
8.4455
g/cm³
Volume
179.03
ų
Cell a
9.4267
Å
Cell b
9.4267
Å
Cell c
4.4609
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
153.15
°
Space Group
Cmcm
Point Group
mmm
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 |
|---|---|---|---|
| 9.65 | 9.1691 | 6.1 | (1,-1,0) |
| 22.16 | 4.0113 | 1.9 | (1,-1,1) |
| 25.02 | 3.5588 | 7.6 | (2,-1,0) |
| 28.99 | 3.0799 | 6.7 | (1,0,1) |
| 29.22 | 3.0564 | 7.4 | (3,-3,0) |
| 31.83 | 2.8112 | 19.5 | (3,-2,0) |
| 32.18 | 2.7820 | 100.0 | (2,-1,1) |
| 35.61 | 2.5213 | 27.6 | (3,-3,1) |
| 37.83 | 2.3783 | 6.2 | (3,-2,1) |
| 39.30 | 2.2923 | 1.4 | (4,-4,0) |
| 40.11 | 2.2479 | 3.8 | (4,-3,0) |
| 40.44 | 2.2304 | 25.9 | (0,0,2) |
| 41.25 | 2.1885 | 24.5 | (1,1,0) |
| 44.43 | 2.0388 | 7.1 | (4,-4,1) |
| 45.17 | 2.0074 | 6.6 | (4,-3,1) |
| 48.15 | 1.8899 | 2.8 | (2,-1,2) |
| 49.33 | 1.8472 | 12.3 | (5,-4,0) |
| 49.72 | 1.8338 | 1.0 | (5,-5,0) |
| 50.67 | 1.8017 | 3.4 | (3,-3,2) |
| 51.35 | 1.7794 | 3.3 | (4,-2,0) |
| 52.36 | 1.7473 | 9.5 | (3,-2,2) |
| 53.71 | 1.7067 | 1.7 | (5,-4,1) |
| 54.07 | 1.6961 | 3.3 | (5,-5,1) |
| 55.61 | 1.6528 | 15.4 | (4,-2,1) |
Energy Properties
Formation Energy/atom
-0.38562
eV/atom
Energy/atom
-5.33323
eV/atom
Energy above Hull
0.0670
eV/atom
Uncorrected Energy
-5.3332
eV/atom
Volume/atom
22.38
ų
c/a Ratio
0.4732
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0001
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Sn · 0.500
Element Family
N/A
Solute Fraction
0.500
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
B
Score
0.589
Family
Sn-rich Multi-Component
Matrix Element
Sn · 0.500
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-30911
Reference Citation
The crystal structure and related material properties of TbCoSn2 were obtained from the Materials Project database (MP-ID: mp-30911, 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_TbCoSn2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.42665731
_cell_length_b 9.42665731
_cell_length_c 4.46088000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 153.15085033
_symmetry_Int_Tables_number 1
_chemical_formula_structural TbCoSn2
_chemical_formula_sum 'Tb2 Co2 Sn4'
_cell_volume 179.03226945
_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
Tb Tb0 1 0.11391500 0.88608500 0.75000000 1.0
Tb Tb1 1 0.88608500 0.11391500 0.25000000 1.0
Co Co2 1 0.68003700 0.31996300 0.25000000 1.0
Co Co3 1 0.31996300 0.68003700 0.75000000 1.0
Sn Sn4 1 0.54840700 0.45159300 0.25000000 1.0
Sn Sn5 1 0.25168000 0.74832000 0.25000000 1.0
Sn Sn6 1 0.45159300 0.54840700 0.75000000 1.0
Sn Sn7 1 0.74832000 0.25168000 0.75000000 1.0
