ErO

Traditional Materials TRA

MP-ID: mp-1184211 · Space group: P6_3/mmc (#194)

Materials Project API

Basic Information

Formula

ErO

MP-ID

mp-1184211

Elements

Sites

Density

9.3979

g/cm³

Volume

64.76

Å³

Cell a

3.9633

Cell b

3.9633

Cell c

4.7608

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
25.96	3.4323	44.1	(1,0,-1,0)
32.15	2.7842	100.0	(1,0,-1,1)
37.79	2.3804	21.6	(0,0,0,2)
45.79	1.9816	12.5	(1,1,-2,0)
45.79	1.9816	24.9	(2,-1,-1,0)
46.42	1.9560	17.9	(1,0,-1,2)
53.39	1.7161	3.9	(2,0,-2,0)
53.39	1.7161	2.0	(2,-2,0,0)
57.05	1.6145	13.8	(2,0,-2,1)
57.05	1.6145	6.9	(2,-2,0,1)
60.82	1.5230	10.5	(1,1,-2,2)
60.82	1.5230	21.0	(2,-1,-1,2)
64.72	1.4404	9.6	(1,0,-1,3)
64.72	1.4404	4.8	(1,-1,0,3)
67.25	1.3921	5.8	(2,0,-2,2)
72.92	1.2973	1.5	(2,1,-3,0)
72.92	1.2973	3.0	(3,-1,-2,0)
76.04	1.2516	6.1	(2,1,-3,1)
76.04	1.2516	12.2	(3,-1,-2,1)
80.74	1.1902	2.3	(0,0,0,4)
82.85	1.1651	7.5	(2,0,-2,3)
84.73	1.1441	4.1	(3,0,-3,0)
84.73	1.1441	2.1	(3,-3,0,0)
85.19	1.1391	2.0	(2,1,-3,2)

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Energy Properties

Formation Energy/atom

-3.12755

eV/atom

Energy/atom

-7.88539

eV/atom

Energy above Hull

0.2534

eV/atom

Uncorrected Energy

-7.5419

eV/atom

Volume/atom

16.19

Å³

c/a Ratio

1.2012

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0096

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000150

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Er · 0.500

Element Family

N/A

Solute Fraction

0.500

Interstitial Fraction

0.000

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.375

Family

Binary Alloy

Matrix Element

Er · 0.500

Related Tasks

Related computation task IDs (5)

aaadfyuj aaadnxuq aaaduqzi aaaetidj aaafczci

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1184211

Reference Citation

The crystal structure and related material properties of ErO were obtained from the Materials Project database (MP-ID: mp-1184211, 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_ErO
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.96324538
_cell_length_b   3.96324538
_cell_length_c   4.76082000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99998963
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ErO
_chemical_formula_sum   'Er2 O2'
_cell_volume   64.76112173
_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  0.66666700  0.33333300  0.25000000  1.0
  Er  Er1  1  0.33333300  0.66666700  0.75000000  1.0
  O  O2  1  0.66666700  0.33333300  0.75000000  1.0
  O  O3  1  0.33333300  0.66666700  0.25000000  1.0

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