ErSb2
Traditional Materials TRAMP-ID: mp-1018159 · Space group: C222 (#21)
Basic Information
Formula
ErSb2
MP-ID
mp-1018159
Elements
2
Sites
3
Density
8.0484
g/cm³
Volume
84.75
ų
Cell a
3.6120
Å
Cell b
3.6120
Å
Cell c
7.6046
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
121.33
°
Space Group
C222
Point Group
222
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 |
|---|---|---|---|
| 11.64 | 7.6046 | 11.2 | (0,0,0,1) |
| 28.34 | 3.1488 | 2.6 | (1,-1,0,0) |
| 28.94 | 3.0854 | 22.3 | (1,0,-1,0) |
| 30.73 | 2.9093 | 51.5 | (1,-1,0,1) |
| 31.29 | 2.8591 | 100.0 | (1,0,-1,1) |
| 35.41 | 2.5349 | 38.8 | (0,0,0,3) |
| 37.07 | 2.4252 | 42.0 | (1,-1,0,2) |
| 37.54 | 2.3959 | 52.0 | (1,0,-1,2) |
| 45.96 | 1.9746 | 1.1 | (1,-1,0,3) |
| 46.36 | 1.9586 | 13.6 | (1,0,-1,3) |
| 47.85 | 1.9012 | 1.2 | (0,0,0,4) |
| 50.55 | 1.8055 | 4.8 | (2,-1,-1,0) |
| 52.06 | 1.7567 | 23.7 | (2,-1,-1,1) |
| 53.14 | 1.7236 | 11.0 | (1,1,-2,1) |
| 56.42 | 1.6310 | 15.8 | (2,-1,-1,2) |
| 56.55 | 1.6275 | 6.2 | (1,-1,0,4) |
| 56.89 | 1.6186 | 20.0 | (1,0,-1,4) |
| 57.44 | 1.6044 | 11.7 | (1,1,-2,2) |
| 58.64 | 1.5744 | 9.2 | (2,-2,0,0) |
| 59.96 | 1.5427 | 17.1 | (2,0,-2,0) |
| 63.23 | 1.4706 | 5.4 | (2,-1,-1,3) |
| 68.51 | 1.3695 | 8.6 | (1,-1,0,5) |
| 68.82 | 1.3642 | 7.0 | (1,0,-1,5) |
| 70.40 | 1.3374 | 10.3 | (2,-2,0,3) |
Energy Properties
Formation Energy/atom
-0.40618
eV/atom
Energy/atom
-28.85220
eV/atom
Energy above Hull
0.4679
eV/atom
Uncorrected Energy
-4.4674
eV/atom
Volume/atom
28.25
ų
c/a Ratio
2.1054
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0082
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000100
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Sb · 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
0.423
Family
Binary Alloy
Matrix Element
Sb · 0.667
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1018159
Reference Citation
The crystal structure and related material properties of ErSb2 were obtained from the Materials Project database (MP-ID: mp-1018159, 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
Loading 3D structure…
Style: Ball & Stick
|
Drag to rotate · Scroll to zoom · Right-click to pan
Raw CIF Data
# generated using pymatgen
data_ErSb2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.61204232
_cell_length_b 3.61204232
_cell_length_c 7.60462800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 121.32781625
_symmetry_Int_Tables_number 1
_chemical_formula_structural ErSb2
_chemical_formula_sum 'Er1 Sb2'
_cell_volume 84.75132797
_cell_formula_units_Z 1
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 0.00000000 0.00000000 0.00000000 1.0
Sb Sb1 1 0.50000000 0.00000000 0.67801900 1.0
Sb Sb2 1 0.00000000 0.50000000 0.32198100 1.0
