Basic Information
Formula
ErCoSn2
MP-ID
mp-30913
Elements
3
Sites
8
Density
8.7026
g/cm³
Volume
176.92
ų
Cell a
9.6396
Å
Cell b
9.6396
Å
Cell c
4.3773
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
154.22
°
Space Group
Cmcm
Point Group
mmm
Crystal System
Orthorhombic
Bravais Lattice
oC
Stability
No
Packing Fraction
-
X-ray Diffraction
Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 24)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 9.41 | 9.3967 | 8.1 | (1,-1,0) |
| 22.41 | 3.9679 | 2.5 | (1,-1,1) |
| 25.11 | 3.5459 | 10.4 | (2,-1,0) |
| 28.50 | 3.1322 | 5.6 | (3,-3,0) |
| 29.50 | 3.0279 | 7.7 | (1,0,1) |
| 31.61 | 2.8303 | 18.7 | (3,-2,0) |
| 32.50 | 2.7553 | 100.0 | (2,-1,1) |
| 35.23 | 2.5473 | 31.2 | (3,-3,1) |
| 37.85 | 2.3768 | 9.8 | (3,-2,1) |
| 38.32 | 2.3492 | 2.5 | (4,-4,0) |
| 39.57 | 2.2775 | 4.9 | (4,-3,0) |
| 41.25 | 2.1887 | 25.6 | (0,0,2) |
| 42.01 | 2.1507 | 24.3 | (1,1,0) |
| 43.73 | 2.0699 | 6.2 | (4,-4,1) |
| 44.86 | 2.0204 | 7.2 | (4,-3,1) |
| 48.44 | 1.8793 | 2.0 | (5,-5,0) |
| 48.46 | 1.8785 | 13.9 | (5,-4,0) |
| 48.90 | 1.8625 | 3.7 | (2,-1,2) |
| 50.90 | 1.7941 | 2.5 | (3,-3,2) |
| 51.55 | 1.7730 | 2.4 | (4,-2,0) |
| 52.88 | 1.7314 | 8.7 | (3,-2,2) |
| 53.03 | 1.7269 | 4.4 | (5,-5,1) |
| 55.96 | 1.6433 | 16.7 | (4,-2,1) |
| 57.56 | 1.6014 | 1.6 | (4,-4,2) |
Energy Properties
Formation Energy/atom
-0.33089
eV/atom
Energy/atom
-5.26096
eV/atom
Energy above Hull
0.0928
eV/atom
Uncorrected Energy
-5.2610
eV/atom
Volume/atom
22.12
ų
c/a Ratio
0.4541
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0002
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Sn · 0.500
Element Family
N/A
Solute Fraction
0.500
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
B
Score
0.572
Family
Sn-rich Multi-Component
Matrix Element
Sn · 0.500
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-30913
Reference Citation
The crystal structure and related material properties of ErCoSn2 were obtained from the Materials Project database (MP-ID: mp-30913, 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_ErCoSn2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.63964160
_cell_length_b 9.63964160
_cell_length_c 4.37733600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 154.21685496
_symmetry_Int_Tables_number 1
_chemical_formula_structural ErCoSn2
_chemical_formula_sum 'Er2 Co2 Sn4'
_cell_volume 176.92418303
_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 0.11784400 0.88215600 0.75000000 1.0
Er Er1 1 0.88215600 0.11784400 0.25000000 1.0
Co Co2 1 0.67673600 0.32326400 0.25000000 1.0
Co Co3 1 0.32326400 0.67673600 0.75000000 1.0
Sn Sn4 1 0.74900800 0.25099200 0.75000000 1.0
Sn Sn5 1 0.25099200 0.74900800 0.25000000 1.0
Sn Sn6 1 0.54788800 0.45211200 0.25000000 1.0
Sn Sn7 1 0.45211200 0.54788800 0.75000000 1.0
