Er3In
Traditional Materials TRAMP-ID: mp-1184184 · Space group: P6_3/mmc (#194)
Basic Information
Formula
Er3In
MP-ID
mp-1184184
Elements
2
Sites
8
Density
9.3061
g/cm³
Volume
220.05
ų
Cell a
6.7522
Å
Cell b
6.7522
Å
Cell c
5.5731
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.00
°
Space Group
P6_3/mmc
Point Group
6/mmm
Crystal System
Hexagonal
Bravais Lattice
hP
Stability
No
Packing Fraction
0.7405
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 |
|---|---|---|---|
| 22.03 | 4.0343 | 2.7 | (1,-1,0,1) |
| 22.03 | 4.0343 | 5.4 | (1,0,-1,1) |
| 26.40 | 3.3761 | 1.6 | (2,-1,-1,0) |
| 30.58 | 2.9238 | 23.2 | (2,-2,0,0) |
| 30.58 | 2.9238 | 46.4 | (2,0,-2,0) |
| 32.12 | 2.7866 | 81.9 | (0,0,0,2) |
| 34.65 | 2.5891 | 100.0 | (2,-2,0,1) |
| 34.65 | 2.5891 | 100.0 | (2,0,-2,1) |
| 34.65 | 2.5891 | 100.0 | (0,2,-2,1) |
| 44.94 | 2.0172 | 16.1 | (2,-2,0,2) |
| 44.94 | 2.0172 | 32.3 | (2,0,-2,2) |
| 54.35 | 1.6880 | 18.3 | (4,-2,-2,0) |
| 54.35 | 1.6880 | 18.3 | (2,-4,2,0) |
| 54.35 | 1.6880 | 18.3 | (2,2,-4,0) |
| 58.90 | 1.5680 | 21.7 | (2,-2,0,3) |
| 58.90 | 1.5680 | 43.3 | (2,0,-2,3) |
| 63.65 | 1.4619 | 2.8 | (4,-4,0,0) |
| 63.65 | 1.4619 | 2.8 | (4,0,-4,0) |
| 63.65 | 1.4619 | 2.8 | (0,4,-4,0) |
| 64.55 | 1.4438 | 21.7 | (4,-2,-2,2) |
| 64.55 | 1.4438 | 21.7 | (2,-4,2,2) |
| 64.55 | 1.4438 | 21.7 | (2,2,-4,2) |
| 66.08 | 1.4140 | 15.1 | (4,-4,0,1) |
| 66.08 | 1.4140 | 15.1 | (4,0,-4,1) |
Energy Properties
Formation Energy/atom
-0.33216
eV/atom
Energy/atom
-31.42088
eV/atom
Energy above Hull
0.0124
eV/atom
Uncorrected Energy
-31.4209
eV/atom
Volume/atom
27.51
ų
c/a Ratio
0.8254
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
2.7259
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.012390
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Er · 0.750
Element Family
N/A
Solute Fraction
0.250
Interstitial Fraction
0.000
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.713
Family
Binary Alloy
Matrix Element
Er · 0.750
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1184184
Reference Citation
The crystal structure and related material properties of Er3In were obtained from the Materials Project database (MP-ID: mp-1184184, 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_Er3In
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.75214883
_cell_length_b 6.75214746
_cell_length_c 5.57313403
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00002849
_symmetry_Int_Tables_number 1
_chemical_formula_structural Er3In
_chemical_formula_sum 'Er6 In2'
_cell_volume 220.04622359
_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 0.82943292 0.17056608 0.75000000 1.0
Er Er1 1 0.34113317 0.17056708 0.75000000 1.0
Er Er2 1 0.82943292 0.65886683 0.75000000 1.0
Er Er3 1 0.17056708 0.82943392 0.25000000 1.0
Er Er4 1 0.65886683 0.82943292 0.25000000 1.0
Er Er5 1 0.17056708 0.34113317 0.25000000 1.0
In In6 1 0.66666600 0.33333300 0.25000000 1.0
In In7 1 0.33333400 0.66666700 0.75000000 1.0
