Y5Pb4

Traditional Materials TRA

MP-ID: mp-672188 · Space group: Pnma (#62)

Materials Project API

Basic Information

Formula

Y5Pb4

MP-ID

mp-672188

Elements

Sites

Density

5.8035

g/cm³

Volume

1,457.33

Å³

Cell a

9.0623

Cell b

9.1825

Cell c

17.5130

α Angle

90.00

β Angle

90.00

γ Angle

90.00

Space Group

Pnma

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
10.10	8.7565	4.6	(0,0,2)
14.64	6.0526	2.1	(1,1,1)
17.07	5.1933	9.4	(1,1,2)
19.33	4.5912	11.4	(0,2,0)
19.59	4.5312	12.3	(2,0,0)
20.28	4.3783	21.0	(0,0,4)
20.52	4.3282	63.8	(1,1,3)
21.70	4.0956	5.7	(1,2,0)
21.86	4.0662	12.3	(0,2,2)
21.87	4.0634	1.2	(2,1,0)
22.09	4.0243	10.4	(2,0,2)
22.29	3.9880	6.0	(1,2,1)
22.46	3.9582	1.5	(2,1,1)
24.15	3.6859	29.4	(2,1,2)
26.59	3.3528	100.0	(1,2,3)
26.73	3.3350	44.4	(2,1,3)
27.66	3.2250	43.1	(2,2,0)
28.13	3.1717	8.1	(2,2,1)
28.16	3.1685	26.9	(0,2,4)
28.35	3.1486	23.5	(2,0,4)
29.01	3.0781	30.4	(1,1,5)
29.52	3.0263	21.8	(2,2,2)
29.63	3.0151	3.8	(0,3,1)
29.87	2.9910	15.7	(1,2,4)

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Energy Properties

Formation Energy/atom

-0.31765

eV/atom

Energy/atom

-36.61860

eV/atom

Energy above Hull

0.3677

eV/atom

Uncorrected Energy

-5.4169

eV/atom

Volume/atom

40.48

Å³

c/a Ratio

1.9325

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.1289

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000090

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Y · 0.556

Element Family

N/A

Solute Fraction

0.444

Interstitial Fraction

0.000

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.446

Family

Binary Alloy

Matrix Element

Y · 0.556

Related Tasks

Related computation task IDs (2)

aaacbrhe aaadameq

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-672188

Reference Citation

The crystal structure and related material properties of Y5Pb4 were obtained from the Materials Project database (MP-ID: mp-672188, 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_Y5Pb4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.06231400
_cell_length_b   9.18245400
_cell_length_c   17.51300900
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y5Pb4
_chemical_formula_sum   'Y20 Pb16'
_cell_volume   1457.33245976
_cell_formula_units_Z   4
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
  Y  Y0  1  0.79022300  0.00203100  0.25000000  1.0
  Y  Y1  1  0.47326800  0.81919500  0.40003400  1.0
  Y  Y2  1  0.02673200  0.31919500  0.90003400  1.0
  Y  Y3  1  0.02673200  0.31919500  0.59996600  1.0
  Y  Y4  1  0.87955600  0.83894300  0.88291900  1.0
  Y  Y5  1  0.47326800  0.81919500  0.09996600  1.0
  Y  Y6  1  0.70977700  0.50203100  0.75000000  1.0
  Y  Y7  1  0.37955600  0.66105700  0.88291900  1.0
  Y  Y8  1  0.62044400  0.33894300  0.11708100  1.0
  Y  Y9  1  0.29022300  0.49796900  0.25000000  1.0
  Y  Y10  1  0.62044400  0.33894300  0.38291900  1.0
  Y  Y11  1  0.20977700  0.99796900  0.75000000  1.0
  Y  Y12  1  0.52673200  0.18080500  0.59996600  1.0
  Y  Y13  1  0.37955600  0.66105700  0.61708100  1.0
  Y  Y14  1  0.52673200  0.18080500  0.90003400  1.0
  Y  Y15  1  0.97326800  0.68080500  0.40003400  1.0
  Y  Y16  1  0.97326800  0.68080500  0.09996600  1.0
  Y  Y17  1  0.12044400  0.16105700  0.11708100  1.0
  Y  Y18  1  0.87955600  0.83894300  0.61708100  1.0
  Y  Y19  1  0.12044400  0.16105700  0.38291900  1.0
  Pb  Pb20  1  0.83145600  0.14032300  0.75000000  1.0
  Pb  Pb21  1  0.71783400  0.53037100  0.54356600  1.0
  Pb  Pb22  1  0.92336000  0.38116600  0.25000000  1.0
  Pb  Pb23  1  0.21783400  0.96962900  0.95643400  1.0
  Pb  Pb24  1  0.28216600  0.46962900  0.04356600  1.0
  Pb  Pb25  1  0.57664000  0.88116600  0.75000000  1.0
  Pb  Pb26  1  0.33145600  0.35967700  0.75000000  1.0
  Pb  Pb27  1  0.07664000  0.61883400  0.75000000  1.0
  Pb  Pb28  1  0.78216600  0.03037100  0.45643400  1.0
  Pb  Pb29  1  0.28216600  0.46962900  0.45643400  1.0
  Pb  Pb30  1  0.16854400  0.85967700  0.25000000  1.0
  Pb  Pb31  1  0.21783400  0.96962900  0.54356600  1.0
  Pb  Pb32  1  0.78216600  0.03037100  0.04356600  1.0
  Pb  Pb33  1  0.66854400  0.64032300  0.25000000  1.0
  Pb  Pb34  1  0.71783400  0.53037100  0.95643400  1.0
  Pb  Pb35  1  0.42336000  0.11883400  0.25000000  1.0

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