Nd5Pb3

传统材料 TRA

MP-ID: mp-1106152 · Space group: P6_3/mcm (#193)

Materials Project API

Basic Information

Formula

Nd5Pb3

MP-ID

mp-1106152

Elements

Sites

Density

8.4751

g/cm³

Volume

526.20

Å³

Cell a

6.9276

Cell b

9.3651

Cell c

9.3653

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
10.91	8.1106	11.2	(0,0,0,1)
10.91	8.1105	11.2	(0,1,-1,-1)
10.91	8.1105	11.2	(0,1,-1,0)
18.95	4.6826	4.1	(0,1,-1,-2)
18.95	4.6826	4.1	(0,1,-1,1)
18.95	4.6826	4.1	(0,2,-2,-1)
22.92	3.8795	14.7	(1,1,-2,-2)
22.92	3.8795	14.7	(1,1,-2,1)
22.92	3.8795	14.6	(1,2,-3,-1)
25.72	3.4638	100.0	(2,0,-2,0)
28.01	3.1855	10.5	(2,0,-2,1)
28.01	3.1855	10.5	(2,1,-3,-1)
28.01	3.1855	10.5	(2,1,-3,0)
29.13	3.0655	14.2	(0,1,-1,-3)
29.13	3.0655	14.2	(0,1,-1,2)
29.13	3.0655	14.2	(0,2,-2,-3)
29.13	3.0655	14.1	(0,2,-2,1)
29.13	3.0655	14.2	(0,3,-3,-2)
29.13	3.0655	14.2	(0,3,-3,-1)
31.92	2.8033	63.8	(1,1,-2,-3)
31.92	2.8033	63.8	(1,1,-2,2)
31.92	2.8033	63.7	(1,-2,1,3)
31.92	2.8033	63.7	(1,2,-3,1)
31.92	2.8033	63.8	(1,3,-4,-2)

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Energy Properties

Formation Energy/atom

-0.72170

eV/atom

Energy/atom

-40.21488

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-40.2149

eV/atom

Volume/atom

32.89

Å³

c/a Ratio

1.3519

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.0081

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.000020

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Nd · 0.625

Element Family

N/A

Solute Fraction

0.375

Interstitial Fraction

0.000

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.679

Family

Binary Alloy

Matrix Element

Nd · 0.625

Related Tasks

Related computation task IDs (5)

aaadnjsd aaadtggn aaaelbxk aaaetmcf aaafbtly

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1106152

Reference Citation

The crystal structure and related material properties of Nd5Pb3 were obtained from the Materials Project database (MP-ID: mp-1106152, 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_Nd5Pb3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.92763083
_cell_length_b   9.36511158
_cell_length_c   9.36525964
_cell_angle_alpha   119.99964324
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd5Pb3
_chemical_formula_sum   'Nd10 Pb6'
_cell_volume   526.19862317
_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
  Nd  Nd0  1  0.49989121  0.33335440  0.66660565  1.0
  Nd  Nd1  1  0.49989121  0.66674875  0.33339435  1.0
  Nd  Nd2  1  0.99989121  0.66664560  0.33339435  1.0
  Nd  Nd3  1  0.99989121  0.33325125  0.66660565  1.0
  Nd  Nd4  1  0.75035870  0.24017187  0.00000000  1.0
  Nd  Nd5  1  0.75035440  0.75990158  0.75993309  1.0
  Nd  Nd6  1  0.75035440  0.99996849  0.24006691  1.0
  Nd  Nd7  1  0.25035870  0.75982813  -0.00000000  1.0
  Nd  Nd8  1  0.25035440  0.24009842  0.24006691  1.0
  Nd  Nd9  1  0.25035440  0.00003151  0.75993309  1.0
  Pb  Pb10  1  0.74979295  0.60675382  -0.00000000  1.0
  Pb  Pb11  1  0.74967756  0.39317327  0.39316363  1.0
  Pb  Pb12  1  0.74967756  0.00000864  0.60683637  1.0
  Pb  Pb13  1  0.24979295  0.39324618  0.00000000  1.0
  Pb  Pb14  1  0.24967756  0.60682673  0.60683637  1.0
  Pb  Pb15  1  0.24967756  0.99999136  0.39316363  1.0

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