ErMn2

Traditional Materials TRA

MP-ID: mp-11855 · Space group: P6_3/mmc (#194)

Materials Project API

Basic Information

Formula

ErMn2

MP-ID

mp-11855

Elements

Sites

Density

8.0400

g/cm³

Volume

228.95

Å³

Cell a

5.4593

Cell b

5.4594

Cell c

8.8701

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

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
18.77	4.7280	15.2	(0,1,-1,0)
18.77	4.7279	15.2	(1,0,-1,0)
18.77	4.7279	15.2	(1,-1,0,0)
20.02	4.4351	20.7	(0,0,0,2)
21.30	4.1723	8.0	(0,1,-1,-1)
21.30	4.1723	8.0	(0,1,-1,1)
21.30	4.1723	8.0	(1,0,-1,1)
21.30	4.1723	8.0	(1,0,-1,-1)
21.30	4.1723	8.0	(1,-1,0,1)
21.30	4.1722	8.0	(1,-1,0,-1)
27.58	3.2347	5.7	(0,1,-1,-2)
27.58	3.2347	5.7	(1,0,-1,2)
27.58	3.2347	17.1	(1,0,-1,-2)
27.58	3.2346	5.7	(1,-1,0,-2)
32.81	2.7297	65.7	(1,1,-2,0)
32.81	2.7297	65.7	(1,-2,1,0)
32.81	2.7297	65.7	(2,-1,-1,0)
35.82	2.5069	50.0	(0,1,-1,-3)
35.82	2.5069	50.0	(1,0,-1,3)
35.82	2.5069	50.0	(1,-1,0,3)
35.82	2.5069	100.0	(1,0,-1,-3)
35.82	2.5069	50.0	(1,-1,0,-3)
38.07	2.3640	15.0	(0,2,-2,0)
38.07	2.3640	15.0	(2,0,-2,0)

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Energy Properties

Formation Energy/atom

-0.12930

eV/atom

Energy/atom

-21.22667

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-21.2267

eV/atom

Volume/atom

19.08

Å³

c/a Ratio

1.6248

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

11.9686

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.052280

μB/Å³

Elastic Properties

K_VRH

-21.280

GPa

G_VRH

-12.798

GPa

Young's Modulus E

GPa

Poisson Ratio ν

Pugh Ratio K/G

1.663

Vickers Hardness Est.

GPa

Ductility

Ductile

Anisotropy

-8,150.472

Lame λ

-12.748

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Mn · 0.667

Element Family

N/A

Solute Fraction

0.333

Interstitial Fraction

0.000

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.788

Family

Binary Alloy

Matrix Element

Mn · 0.667

Related Tasks

Related computation task IDs (5)

aaadmozg aaadrzba aaaelxlg aaaeuomh aaafijzc

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-11855

Reference Citation

The crystal structure and related material properties of ErMn2 were obtained from the Materials Project database (MP-ID: mp-11855, 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_ErMn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.45934381
_cell_length_b   5.45935286
_cell_length_c   8.87013130
_cell_angle_alpha   90.00015993
_cell_angle_beta   89.99988805
_cell_angle_gamma   119.99970692
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ErMn2
_chemical_formula_sum   'Er4 Mn8'
_cell_volume   228.95154230
_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  0.33333300  0.66666600  0.43198774  1.0
  Er  Er1  1  0.66666700  0.33333400  0.93199614  1.0
  Er  Er2  1  0.66666700  0.33333400  0.56801226  1.0
  Er  Er3  1  0.33333300  0.66666600  0.06800386  1.0
  Mn  Mn4  1  0.16832312  0.33664623  0.75001212  1.0
  Mn  Mn5  1  0.83167588  0.16832412  0.24998588  1.0
  Mn  Mn6  1  0.33664623  0.16832312  0.24998888  1.0
  Mn  Mn7  1  0.66335377  0.83167688  0.75001112  1.0
  Mn  Mn8  1  -0.00000000  -0.00000000  -0.00000000  1.0
  Mn  Mn9  1  -0.00000000  -0.00000000  0.50000000  1.0
  Mn  Mn10  1  0.83167688  0.66335377  0.24998788  1.0
  Mn  Mn11  1  0.16832412  0.83167588  0.75001412  1.0

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