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Er2Co7

Traditional Materials TRA

MP-ID: mp-569509 · Space group: R-3m (#166)

Basic Information

Formula
Er2Co7
MP-ID
mp-569509
Elements
2
Sites
18
Density
9.7726
g/cm³
Volume
253.87
ų
Cell a
12.3509
Å
Cell b
12.3509
Å
Cell c
12.3509
Å
α Angle
23.07
°
β Angle
23.07
°
γ Angle
23.07
°
Space Group
R-3m
Point Group
-3m
Crystal System
Trigonal
Bravais Lattice
Trigonal R
Stability
No
Packing Fraction
0.7400

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å
Diffraction Peaks (Top 24)
2θd (Å)Ihkl
7.36 12.0172 2.4 (1,1,1)
20.91 4.2476 9.3 (1,0,0)
22.19 4.0057 5.3 (3,3,3)
23.02 3.8643 2.2 (2,1,1)
28.78 3.1024 2.3 (3,3,2)
29.74 3.0043 2.3 (4,4,4)
32.48 2.7566 46.0 (4,3,3)
34.48 2.6015 34.6 (4,4,3)
36.38 2.4695 51.6 (1,0,-1)
38.70 2.3269 1.0 (4,5,4)
40.91 2.2062 4.7 (5,5,4)
40.91 2.2062 2.3 (5,4,5)
42.34 2.1349 11.8 (1,-1,-1)
42.34 2.1349 23.6 (1,1,-1)
42.57 2.1238 5.6 (2,0,0)
42.57 2.1238 2.8 (0,0,2)
43.03 2.1021 100.0 (4,3,2)
43.49 2.0809 4.7 (2,2,0)
44.17 2.0504 1.9 (1,3,1)
45.28 2.0029 14.4 (6,6,6)
45.95 1.9751 5.8 (3,3,1)
47.03 1.9321 5.8 (4,2,2)
47.03 1.9321 2.9 (2,2,4)
47.67 1.9077 1.9 (5,4,3)
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Energy Properties

Formation Energy/atom
-0.16233
eV/atom
Energy/atom
-6.72559
eV/atom
Energy above Hull
0.0051
eV/atom
Uncorrected Energy
-6.7256
eV/atom
Volume/atom
14.10
ų
c/a Ratio
1.0000

Electronic Properties

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

Magnetic Properties

Magnetic
Yes
Total Mag. Moment
18.0319
μB
Mag. Ordering
FiM
Mag. Sites
18
Magnetization/Volume
0.071030
μB/ų

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Co · 0.778
Element Family
N/A
Solute Fraction
0.222
Interstitial Fraction
0.000

Traditional Material Features

ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.804
Family
Co-based Alloy
Matrix Element
Co · 0.778

Related Tasks

Related computation task IDs (3)

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-569509
Reference Citation

The crystal structure and related material properties of Er2Co7 were obtained from the Materials Project database (MP-ID: mp-569509, 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_Er2Co7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.35086006
_cell_length_b   12.35085984
_cell_length_c   12.35085956
_cell_angle_alpha   23.06778219
_cell_angle_beta   23.06778496
_cell_angle_gamma   23.06778498
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Er2Co7
_chemical_formula_sum   'Er4 Co14'
_cell_volume   253.87465172
_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  0.94853200  0.94853200  0.94853200  1.0
  Er  Er1  1  0.14806400  0.14806400  0.14806400  1.0
  Er  Er2  1  0.05146800  0.05146800  0.05146800  1.0
  Er  Er3  1  0.85193600  0.85193600  0.85193600  1.0
  Co  Co4  1  0.61121000  0.61121000  0.61121000  1.0
  Co  Co5  1  0.38879000  0.38879000  0.38879000  1.0
  Co  Co6  1  0.10808500  0.61027400  0.61027400  1.0
  Co  Co7  1  0.38972600  0.38972600  0.89191500  1.0
  Co  Co8  1  0.61027400  0.61027400  0.10808500  1.0
  Co  Co9  1  0.61027400  0.10808500  0.61027400  1.0
  Co  Co10  1  0.38972600  0.89191500  0.38972600  1.0
  Co  Co11  1  0.50000000  0.00000000  0.50000000  1.0
  Co  Co12  1  0.72156200  0.72156200  0.72156200  1.0
  Co  Co13  1  0.50000000  0.50000000  0.50000000  1.0
  Co  Co14  1  0.89191500  0.38972600  0.38972600  1.0
  Co  Co15  1  0.00000000  0.50000000  0.50000000  1.0
  Co  Co16  1  0.27843800  0.27843800  0.27843800  1.0
  Co  Co17  1  0.50000000  0.50000000  0.00000000  1.0
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