Tb5Pb3

Traditional Materials TRA

MP-ID: mp-1105825 · Space group: P6_3/mcm (#193)

Materials Project API

Basic Information

Formula

Tb5Pb3

MP-ID

mp-1105825

Elements

Sites

Density

9.9494

g/cm³

Volume

472.73

Å³

Cell a

6.6678

Cell b

9.0480

Cell c

9.0480

α Angle

120.00

β Angle

90.00

γ Angle

90.00

Space Group

P6_3/mcm

Point Group

6/mmm

Crystal System

Hexagonal

Bravais Lattice

Stability

Yes

Packing Fraction

0.7405

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
11.29	7.8358	10.0	(0,0,0,1)
11.29	7.8358	10.0	(0,1,-1,-1)
11.29	7.8358	10.0	(0,1,-1,0)
19.62	4.5240	2.7	(0,1,-1,-2)
19.62	4.5240	2.7	(0,1,-1,1)
19.62	4.5240	2.7	(0,2,-2,-1)
23.77	3.7436	11.2	(1,-1,0,2)
23.77	3.7436	11.2	(1,1,-2,1)
23.77	3.7436	11.2	(1,2,-3,-1)
26.74	3.3339	100.0	(2,0,-2,0)
29.11	3.0678	6.8	(2,0,-2,1)
29.11	3.0678	33.8	(2,0,-2,-1)
30.18	2.9617	16.5	(0,1,-1,-3)
30.18	2.9617	16.5	(0,2,-2,-3)
30.18	2.9617	16.5	(0,1,-1,2)
30.18	2.9617	16.5	(0,2,-2,1)
30.18	2.9617	16.5	(0,3,-3,-2)
30.18	2.9617	16.5	(0,3,-3,-1)
33.10	2.7067	68.7	(1,-1,0,3)
33.10	2.7067	68.7	(1,-2,1,3)
33.10	2.7067	34.4	(1,1,-2,2)
33.10	2.7067	34.4	(1,-1,0,-2)
33.10	2.7067	68.7	(1,2,-3,1)
33.10	2.7067	68.7	(1,-3,2,2)

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Energy Properties

Formation Energy/atom

-0.54093

eV/atom

Energy/atom

-4.83184

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-41.3515

eV/atom

Volume/atom

29.55

Å³

c/a Ratio

1.3570

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.0002

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Tb · 0.625

Element Family

N/A

Solute Fraction

0.375

Interstitial Fraction

0.000

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.679

Family

Binary Alloy

Matrix Element

Tb · 0.625

Related Tasks

Related computation task IDs (5)

aaadnkia aaadtgcl aaaeijyx aaaetlwt aaafwvht

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1105825

Reference Citation

The crystal structure and related material properties of Tb5Pb3 were obtained from the Materials Project database (MP-ID: mp-1105825, 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_Tb5Pb3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.66776481
_cell_length_b   9.04798111
_cell_length_c   9.04799915
_cell_angle_alpha   120.00000439
_cell_angle_beta   89.99999897
_cell_angle_gamma   89.99999980
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tb5Pb3
_chemical_formula_sum   'Tb10 Pb6'
_cell_volume   472.73213082
_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  0.50000003  0.33333380  0.66667033  1.0
  Tb  Tb1  1  0.50000007  0.66666392  0.33332966  1.0
  Tb  Tb2  1  0.00000003  0.66666619  0.33332965  1.0
  Tb  Tb3  1  0.00000006  0.33333611  0.66667039  1.0
  Tb  Tb4  1  0.74999985  0.23806844  -0.00000292  1.0
  Tb  Tb5  1  0.74999928  0.76192809  0.76193036  1.0
  Tb  Tb6  1  0.74999933  0.00000567  0.23807407  1.0
  Tb  Tb7  1  0.24999982  0.76192793  0.99999568  1.0
  Tb  Tb8  1  0.24999928  0.23806829  0.23807324  1.0
  Tb  Tb9  1  0.24999932  0.00000155  0.76192953  1.0
  Pb  Pb10  1  0.74999824  0.60625248  -0.00000485  1.0
  Pb  Pb11  1  0.75000112  0.39374507  0.39374952  1.0
  Pb  Pb12  1  0.75000112  0.00000553  0.60625640  1.0
  Pb  Pb13  1  0.24999821  0.39374257  -0.00000504  1.0
  Pb  Pb14  1  0.25000112  0.60624995  0.60625541  1.0
  Pb  Pb15  1  0.25000112  0.00000439  0.39374856  1.0

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