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Er5Ru2

Traditional Materials TRA

MP-ID: mp-1103691 · Space group: C2/c (#15)

Basic Information

Formula
Er5Ru2
MP-ID
mp-1103691
Elements
2
Sites
14
Density
9.8276
g/cm³
Volume
350.92
ų
Cell a
6.2615
Å
Cell b
7.2605
Å
Cell c
8.3879
Å
α Angle
96.75
°
β Angle
111.92
°
γ Angle
90.00
°
Space Group
C2/c
Point Group
2/m
Crystal System
Monoclinic
Bravais Lattice
Monoclinic C
Stability
Yes
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
11.46 7.7191 1.5 (0,0,1)
15.27 5.8024 2.2 (1,0,0)
20.10 4.4169 7.6 (1,1,0)
20.10 4.4169 7.6 (1,-1,-1)
24.72 3.6010 3.5 (0,2,0)
25.94 3.4342 1.1 (0,2,-1)
26.65 3.3449 9.9 (1,1,1)
28.51 3.1307 3.2 (2,0,-1)
28.54 3.1271 42.7 (1,-2,0)
28.65 3.1158 20.5 (0,2,1)
29.82 2.9965 14.2 (1,2,0)
30.82 2.9012 3.8 (2,0,0)
31.15 2.8712 84.3 (2,1,-1)
31.77 2.8169 40.1 (0,2,-2)
31.86 2.8092 48.6 (1,-2,1)
32.33 2.7693 100.0 (1,0,2)
32.72 2.7366 35.3 (2,-1,0)
33.32 2.6891 29.9 (1,-1,2)
33.85 2.6478 44.6 (2,1,0)
34.87 2.5730 16.1 (0,0,3)
35.22 2.5479 45.1 (1,2,1)
36.05 2.4917 46.2 (1,1,2)
36.21 2.4810 35.1 (0,2,2)
36.97 2.4314 13.0 (2,0,1)
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Energy Properties

Formation Energy/atom
-0.39131
eV/atom
Energy/atom
-6.30379
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-6.3038
eV/atom
Volume/atom
25.07
ų
c/a Ratio
-

Electronic Properties

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

Magnetic Properties

Magnetic
No
Total Mag. Moment
0.0224
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000060
μB/ų

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Er · 0.714
Element Family
N/A
Solute Fraction
0.286
Interstitial Fraction
0.000

Traditional Material Features

ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.722
Family
Binary Alloy
Matrix Element
Er · 0.714

Related Tasks

Related computation task IDs (1)

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-1103691
Reference Citation

The crystal structure and related material properties of Er5Ru2 were obtained from the Materials Project database (MP-ID: mp-1103691, 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_Er5Ru2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.26147700
_cell_length_b   7.26050295
_cell_length_c   8.38790412
_cell_angle_alpha   96.74518021
_cell_angle_beta   111.91584575
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Er5Ru2
_chemical_formula_sum   'Er10 Ru4'
_cell_volume   350.92255615
_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  0.79127700  0.58455000  0.81378800  1.0
  Er  Er1  1  0.97748900  0.91545000  0.18621200  1.0
  Er  Er2  1  0.20872300  0.41545000  0.18621200  1.0
  Er  Er3  1  0.02251100  0.08455000  0.81378800  1.0
  Er  Er4  1  0.20542500  0.68516200  0.56460800  1.0
  Er  Er5  1  0.64081700  0.81483800  0.43539200  1.0
  Er  Er6  1  0.79457500  0.31483800  0.43539200  1.0
  Er  Er7  1  0.35918300  0.18516200  0.56460800  1.0
  Er  Er8  1  0.41805300  0.75000000  0.00000000  1.0
  Er  Er9  1  0.58194700  0.25000000  0.00000000  1.0
  Ru  Ru10  1  0.60217200  0.92361200  0.78002200  1.0
  Ru  Ru11  1  0.82214900  0.57638800  0.21997800  1.0
  Ru  Ru12  1  0.39782800  0.07638800  0.21997800  1.0
  Ru  Ru13  1  0.17785100  0.42361200  0.78002200  1.0
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