Er3Pb

Traditional Materials TRA

MP-ID: mp-1184189 · Space group: P6_3/mmc (#194)

Materials Project API

Basic Information

Formula

Er3Pb

MP-ID

mp-1184189

Elements

Sites

Density

10.5380

g/cm³

Volume

223.44

Å³

Cell a

6.7960

Cell b

6.7960

Cell c

5.5861

α Angle

90.00

β Angle

90.00

γ Angle

120.00

Space Group

P6_3/mmc

Point Group

6/mmm

Crystal System

Hexagonal

Bravais Lattice

Stability

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
30.37	2.9428	15.4	(2,-2,0,0)
30.37	2.9428	7.7	(2,0,-2,0)
32.04	2.7931	26.9	(0,0,0,2)
34.45	2.6036	100.0	(2,0,-2,1)
44.73	2.0259	16.2	(2,0,-2,2)
53.97	1.6990	6.3	(2,-4,2,0)
53.97	1.6990	12.5	(4,-2,-2,0)
58.67	1.5735	14.6	(2,-2,0,3)
58.67	1.5735	7.3	(2,0,-2,3)
64.16	1.4516	7.5	(2,-4,2,2)
64.16	1.4516	14.9	(4,-2,-2,2)
65.61	1.4229	10.5	(4,-4,0,1)
65.61	1.4229	5.2	(4,0,-4,1)
67.01	1.3965	3.3	(0,0,0,4)
72.63	1.3018	2.6	(4,-4,0,2)
72.63	1.3018	1.3	(4,0,-4,2)
75.33	1.2617	1.2	(0,2,-2,4)
75.33	1.2617	2.4	(2,0,-2,4)
83.79	1.1545	2.7	(0,4,-4,3)
83.79	1.1545	5.5	(4,0,-4,3)
87.75	1.1123	1.2	(6,-2,-4,0)
89.94	1.0909	2.4	(2,-6,4,1)
89.94	1.0909	4.8	(4,-6,2,1)
89.94	1.0909	4.8	(6,-4,-2,1)

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Energy Properties

Formation Energy/atom

-0.23649

eV/atom

Energy/atom

-4.59044

eV/atom

Energy above Hull

0.1053

eV/atom

Uncorrected Energy

-39.8447

eV/atom

Volume/atom

27.93

Å³

c/a Ratio

0.8220

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

4.2214

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.018890

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Er · 0.750

Element Family

N/A

Solute Fraction

0.250

Interstitial Fraction

0.000

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.651

Family

Binary Alloy

Matrix Element

Er · 0.750

Related Tasks

Related computation task IDs (5)

aaadoigl aaadvuiz aaaekyqp aaaeqamg aaafbgsc

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1184189

Reference Citation

The crystal structure and related material properties of Er3Pb were obtained from the Materials Project database (MP-ID: mp-1184189, 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_Er3Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.79603424
_cell_length_b   6.79603567
_cell_length_c   5.58611267
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000120
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Er3Pb
_chemical_formula_sum   'Er6 Pb2'
_cell_volume   223.43516513
_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
  Er  Er0  1  0.83112386  0.16887614  0.75000000  1.0
  Er  Er1  1  0.33775329  0.16887614  0.75000000  1.0
  Er  Er2  1  0.83112386  0.66224671  0.75000000  1.0
  Er  Er3  1  0.16887614  0.83112386  0.25000000  1.0
  Er  Er4  1  0.66224671  0.83112386  0.25000000  1.0
  Er  Er5  1  0.16887614  0.33775329  0.25000000  1.0
  Pb  Pb6  1  0.66666700  0.33333300  0.25000000  1.0
  Pb  Pb7  1  0.33333300  0.66666700  0.75000000  1.0

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