Er

Traditional Materials TRA

MP-ID: mp-1184113 · Space group: P6_3/mmc (#194)

Materials Project API

Basic Information

Formula

MP-ID

mp-1184113

Elements

Sites

Density

8.9563

g/cm³

Volume

124.04

Å³

Cell a

3.5409

Cell b

3.5409

Cell c

11.4242

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
29.12	3.0665	3.9	(1,-1,0,0)
29.12	3.0665	7.8	(1,0,-1,0)
30.18	2.9616	21.3	(1,-1,0,1)
30.18	2.9616	42.7	(1,0,-1,1)
31.32	2.8560	51.6	(0,0,0,4)
33.16	2.7018	100.0	(1,-1,0,2)
33.16	2.7018	50.0	(1,0,-1,2)
37.66	2.3884	23.7	(1,-1,0,3)
37.66	2.3884	11.8	(1,0,-1,3)
43.29	2.0900	5.3	(1,-1,0,4)
43.29	2.0900	2.7	(1,0,-1,4)
49.77	1.8322	5.4	(1,-1,0,5)
49.77	1.8322	10.7	(1,0,-1,5)
51.63	1.7704	12.8	(1,-2,1,0)
51.63	1.7704	12.8	(2,-1,-1,0)
51.63	1.7704	12.8	(1,1,-2,0)
56.93	1.6176	21.6	(1,-1,0,6)
56.93	1.6176	10.8	(1,0,-1,6)
60.97	1.5196	2.9	(2,-2,0,1)
60.97	1.5196	2.9	(0,2,-2,1)
60.97	1.5196	2.9	(2,0,-2,1)
61.64	1.5048	15.1	(1,-2,1,4)
61.64	1.5048	15.1	(2,-1,-1,4)
61.64	1.5048	15.1	(1,1,-2,4)

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Energy Properties

Formation Energy/atom

0.02277

eV/atom

Energy/atom

-33.90266

eV/atom

Energy above Hull

0.0228

eV/atom

Uncorrected Energy

-33.9027

eV/atom

Volume/atom

31.01

Å³

c/a Ratio

3.2264

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.0005

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

Er · 1.000

Element Family

N/A

Solute Fraction

0.000

Interstitial Fraction

0.000

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.558

Family

Pure Metal

Matrix Element

Er · 1.000

Related Tasks

Related computation task IDs (5)

aaadoljf aaadustb aaaehbhb aaaesppp aaafbjen

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1184113

Reference Citation

The crystal structure and related material properties of Er were obtained from the Materials Project database (MP-ID: mp-1184113, 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

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Raw CIF Data

# generated using pymatgen
data_Er
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.54084816
_cell_length_b   3.54084872
_cell_length_c   11.42416767
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00002495
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Er
_chemical_formula_sum   Er4
_cell_volume   124.04228752
_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
  Er  Er0  1  -0.00000000  -0.00000000  0.99996101  1.0
  Er  Er1  1  0.33333400  0.66666800  0.25003762  1.0
  Er  Er2  1  -0.00000000  0.00000000  0.50001875  1.0
  Er  Er3  1  0.66666600  0.33333200  0.74998262  1.0

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