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ErMn2

Traditional Materials TRA

MP-ID: mp-1095567 · Space group: C2/m (#12)

Basic Information

Formula
ErMn2
MP-ID
mp-1095567
Elements
2
Sites
12
Density
9.6311
g/cm³
Volume
191.13
ų
Cell a
5.0936
Å
Cell b
5.0936
Å
Cell c
8.3427
Å
α Angle
86.80
°
β Angle
86.80
°
γ Angle
62.24
°
Space Group
C2/m
Point Group
2/m
Crystal System
Monoclinic
Bravais Lattice
Monoclinic C
Stability
No
Packing Fraction
0.5240

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å
Diffraction Peaks (Top 24)
2θd (Å)Ihkl
19.71 4.5048 21.2 (1,0,-1,0)
20.41 4.3513 12.8 (1,1,-2,0)
21.35 4.1624 22.8 (0,0,0,2)
22.12 4.0192 10.1 (1,0,-1,1)
22.43 3.9639 3.3 (1,1,-2,1)
22.76 3.9071 11.8 (1,0,-1,-1)
23.68 3.7570 5.7 (1,1,-2,-1)
28.70 3.1109 5.5 (1,1,-2,2)
28.70 3.1100 11.6 (1,0,-1,2)
29.71 3.0070 12.8 (1,0,-1,-2)
30.68 2.9143 5.7 (1,1,-2,-2)
34.06 2.6326 55.3 (1,-1,0,0)
35.33 2.5407 100.0 (2,1,-3,0)
37.28 2.4121 39.3 (1,1,-2,3)
37.49 2.3991 77.7 (1,0,-1,3)
38.68 2.3278 68.1 (1,0,-1,-3)
39.64 2.2734 32.0 (1,1,-2,-3)
40.03 2.2524 24.8 (2,0,-2,0)
40.53 2.2260 78.3 (2,1,-3,2)
40.55 2.2249 74.4 (1,-1,0,2)
41.16 2.1930 36.9 (2,0,-2,1)
41.51 2.1756 10.4 (2,2,-4,0)
41.90 2.1559 38.1 (2,0,-2,-1)
42.24 2.1394 16.1 (2,2,-4,1)
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Energy Properties

Formation Energy/atom
-0.06192
eV/atom
Energy/atom
-21.15929
eV/atom
Energy above Hull
0.0674
eV/atom
Uncorrected Energy
-7.5705
eV/atom
Volume/atom
15.93
ų
c/a Ratio
-

Electronic Properties

Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV

Magnetic Properties

Magnetic
Yes
Total Mag. Moment
5.0156
μB
Mag. Ordering
FiM
Mag. Sites
12
Magnetization/Volume
0.026240
μB/ų

Elastic Properties

Elastic data not available

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
A
Score
0.743
Family
Binary Alloy
Matrix Element
Mn · 0.667

Related Tasks

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-1095567
Reference Citation

The crystal structure and related material properties of ErMn2 were obtained from the Materials Project database (MP-ID: mp-1095567, 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

BibTeX
@article{Horton2025,
  author  = {Horton, Matthew K. and Huck, Patrick and Yang, Ruo Xi and Munro, Jason M. and Dwaraknath, Shyam and Ganose, Alex M. and Kingsbury, Ryan S. and Wen, Mingjian and Shen, Jimmy X. and Mathis, Tyler S. and Kaplan, Aaron D. and Berket, Karlo and Riebesell, Janosh and George, Janine and Rosen, Andrew S. and Spotte-Smith, Evan W. C. and McDermott, Matthew J. and Cohen, Orion A. and Dunn, Alex and Kuner, Matthew C. and Rignanese, Gian-Marco and Petretto, Guido and Waroquiers, David and Griffin, Sinead M. and Neaton, Jeffrey B. and Chrzan, Daryl C. and Asta, Mark and Hautier, Geoffroy and Cholia, Shreyas and Ceder, Gerbrand and Ong, Shyue Ping and Jain, Anubhav and Persson, Kristin A.},
  title   = {Accelerated data-driven materials science with the Materials Project},
  journal = {Nature Materials},
  year    = {2025},
  volume  = {24},
  number  = {10},
  pages   = {1522--1532},
  month   = {oct},
  doi     = {10.1038/s41563-025-02272-0},
  issn    = {1476-4660},
  url     = {https://doi.org/10.1038/s41563-025-02272-0},
  abstract = {The Materials Project was launched formally in 2011 to drive materials discovery forwards through high-throughput computation and open data. More than a decade later, the Materials Project has become an indispensable tool used by more than 600,000 materials researchers around the world. This Perspective describes how the Materials Project, as a data platform and a software ecosystem, has helped to shape research in data-driven materials science. We cover how sustainable software and computational methods have accelerated materials design while becoming more open source and collaborative in nature. Next, we present cases where the Materials Project was used to understand and discover functional materials. We then describe our efforts to meet the needs of an expanding user base, through technical infrastructure updates ranging from data architecture and cloud resources to interactive web applications. Finally, we discuss opportunities to better aid the research community, with the vision that more accessible and easy-to-understand materials data will result in democratized materials knowledge and an increasingly collaborative community.}
}

3D Crystal Structure Rendering

Loading 3D structure…

Style: Ball & Stick
Raw CIF Data
# generated using pymatgen
data_ErMn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.09361029
_cell_length_b   5.09361029
_cell_length_c   8.34264901
_cell_angle_alpha   86.79766997
_cell_angle_beta   86.79766997
_cell_angle_gamma   62.24021638
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ErMn2
_chemical_formula_sum   'Er4 Mn8'
_cell_volume   191.12918370
_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  0.66941000  0.66941000  0.93845300  1.0
  Er  Er1  1  0.33059000  0.33059000  0.06154700  1.0
  Er  Er2  1  0.33429400  0.33429400  0.43651100  1.0
  Er  Er3  1  0.66570600  0.66570600  0.56348900  1.0
  Mn  Mn4  1  0.00000000  0.00000000  0.00000000  1.0
  Mn  Mn5  1  0.00000000  0.00000000  0.50000000  1.0
  Mn  Mn6  1  0.16800200  0.16800200  0.75454400  1.0
  Mn  Mn7  1  0.83199800  0.83199800  0.24545600  1.0
  Mn  Mn8  1  0.32941100  0.83995300  0.25563500  1.0
  Mn  Mn9  1  0.83995300  0.32941100  0.25563500  1.0
  Mn  Mn10  1  0.67058900  0.16004700  0.74436500  1.0
  Mn  Mn11  1  0.16004700  0.67058900  0.74436500  1.0
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