Tb2Si3

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-9095 · Space group: Cmcm (#63)

Materials Project API

Basic Information

Formula

Tb2Si3

MP-ID

mp-9095

Elements

Sites

Density

6.1121

g/cm³

Volume

218.49

Å³

Cell a

12.2202

Cell b

12.2202

Cell c

4.2841

α Angle

90.00

β Angle

90.00

γ Angle

160.03

Space Group

Cmcm

Point Group

mmm

Crystal System

Orthorhombic

Bravais Lattice

Stability

Packing Fraction

X-ray Diffraction

Diffraction Pattern

Target / Radiation

X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å

Diffraction Peaks (Top 24)

2θ	d (Å)	I	hkl
7.35	12.0351	84.2	(1,-1,0)
21.29	4.1735	17.1	(1,0,0)
22.02	4.0360	11.6	(1,-1,1)
22.16	4.0117	20.2	(3,-3,0)
23.75	3.7471	3.7	(2,-1,0)
28.05	3.1809	6.0	(3,-2,0)
29.69	3.0088	25.3	(4,-4,0)
30.53	2.9283	26.4	(3,-3,1)
31.73	2.8205	100.0	(2,-1,1)
33.56	2.6701	2.7	(4,-3,0)
35.14	2.5539	57.2	(3,-2,1)
36.49	2.4622	1.9	(4,-4,1)
37.36	2.4070	2.1	(5,-5,0)
39.86	2.2617	16.8	(5,-4,0)
42.19	2.1420	20.3	(0,0,2)
42.67	2.1188	19.7	(1,1,0)
42.88	2.1089	3.0	(1,-1,2)
43.11	2.0985	3.8	(5,-5,1)
43.36	2.0868	2.9	(2,0,0)
45.34	2.0001	7.7	(5,-4,1)
46.72	1.9443	1.6	(6,-5,0)
47.72	1.9057	4.2	(1,0,2)
48.16	1.8896	5.3	(3,-3,2)
48.53	1.8760	3.2	(2,0,1)

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Energy Properties

Formation Energy/atom

-0.35446

eV/atom

Energy/atom

-18.10929

eV/atom

Energy above Hull

0.3782

eV/atom

Uncorrected Energy

-5.4140

eV/atom

Volume/atom

21.85

Å³

c/a Ratio

0.3506

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0014

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000010

μB/Å³

Elastic Properties

K_VRH

73.503

GPa

G_VRH

33.445

GPa

Young's Modulus E

87.121

GPa

Poisson Ratio ν

0.302

Pugh Ratio K/G

2.198

Vickers Hardness Est.

3.204

GPa

Ductility

Brittle

Anisotropy

0.433

Lame λ

51.206

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Si · 0.600

Element Family

N/A

Solute Fraction

0.400

Interstitial Fraction

0.600

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.387

Family

Binary Alloy

Matrix Element

Si · 0.600

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

0.4330

Homogeneous Poisson ν

0.3020

Debye Temperature

468.5

Sound Velocity

2,613.7

m/s

Homogeneity

0.3020

Related Tasks

Related computation task IDs (3)

aaacaoki aaadbhgf aaadvdvr

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-9095

Reference Citation

The crystal structure and related material properties of Tb2Si3 were obtained from the Materials Project database (MP-ID: mp-9095, 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

Loading 3D structure…

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Raw CIF Data

# generated using pymatgen
data_Tb2Si3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.22017768
_cell_length_b   12.22017768
_cell_length_c   4.28406000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   160.03017025
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tb2Si3
_chemical_formula_sum   'Tb4 Si6'
_cell_volume   218.49094554
_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  0.25362500  0.74637500  0.25000000  1.0
  Tb  Tb1  1  0.74637500  0.25362500  0.75000000  1.0
  Tb  Tb2  1  0.61788100  0.38211900  0.25000000  1.0
  Tb  Tb3  1  0.38211900  0.61788100  0.75000000  1.0
  Si  Si4  1  0.47850400  0.52149600  0.25000000  1.0
  Si  Si5  1  0.52149600  0.47850400  0.75000000  1.0
  Si  Si6  1  0.83587300  0.16412700  0.25000000  1.0
  Si  Si7  1  0.16412700  0.83587300  0.75000000  1.0
  Si  Si8  1  0.06832300  0.93167700  0.75000000  1.0
  Si  Si9  1  0.93167700  0.06832300  0.25000000  1.0

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