ErTe2
Traditional Materials TRA Elasticity Data ELAMP-ID: mp-1018692 · Space group: P4/nmm (#129)
Basic Information
Formula
ErTe2
MP-ID
mp-1018692
Elements
2
Sites
6
Density
8.0988
g/cm³
Volume
173.24
ų
Cell a
4.4252
Å
Cell b
4.4252
Å
Cell c
8.8465
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
P4/nmm
Point Group
4/mmm
Crystal System
Tetragonal
Bravais Lattice
tP
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 |
|---|---|---|---|
| 10.00 | 8.8465 | 1.6 | (0,0,1) |
| 20.07 | 4.4233 | 1.8 | (0,0,2) |
| 22.47 | 3.9577 | 20.8 | (1,0,1) |
| 28.53 | 3.1291 | 28.6 | (1,1,0) |
| 28.53 | 3.1284 | 13.9 | (1,0,2) |
| 30.30 | 2.9500 | 97.1 | (1,1,1) |
| 30.31 | 2.9489 | 35.0 | (0,0,3) |
| 35.13 | 2.5545 | 100.0 | (1,1,2) |
| 36.62 | 2.4539 | 60.5 | (1,0,3) |
| 40.78 | 2.2126 | 68.5 | (2,0,0) |
| 40.80 | 2.2116 | 4.1 | (0,0,4) |
| 45.87 | 1.9783 | 3.3 | (1,0,4) |
| 47.05 | 1.9313 | 6.2 | (2,1,1) |
| 50.52 | 1.8065 | 5.5 | (2,1,2) |
| 50.54 | 1.8061 | 4.6 | (1,1,4) |
| 51.65 | 1.7698 | 31.3 | (2,0,3) |
| 51.66 | 1.7693 | 1.1 | (0,0,5) |
| 55.96 | 1.6433 | 35.7 | (2,1,3) |
| 55.97 | 1.6429 | 16.0 | (1,0,5) |
| 59.04 | 1.5646 | 23.0 | (2,2,0) |
| 59.06 | 1.5642 | 5.6 | (2,0,4) |
| 60.07 | 1.5402 | 5.3 | (1,1,5) |
| 63.03 | 1.4748 | 2.6 | (2,1,4) |
| 63.99 | 1.4550 | 1.3 | (3,0,1) |
Energy Properties
Formation Energy/atom
-1.30275
eV/atom
Energy/atom
-29.55605
eV/atom
Energy above Hull
0.0680
eV/atom
Uncorrected Energy
-4.7163
eV/atom
Volume/atom
28.87
ų
c/a Ratio
1.9991
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0000
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų
Elastic Properties
KVRH
59.579
GPa
GVRH
21.657
GPa
Young's Modulus E
57.949
GPa
Poisson Ratio ν
0.338
Pugh Ratio K/G
2.751
Vickers Hardness Est.
0.700
GPa
Ductility
Brittle
Anisotropy
1.145
Lame λ
45.141
GPa
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Te · 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
0.577
Family
Binary Alloy
Matrix Element
Te · 0.667
Elasticity Features
Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
1.1450
Homogeneous Poisson ν
0.3380
Homogeneity
0.3380
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1018692
Reference Citation
The crystal structure and related material properties of ErTe2 were obtained from the Materials Project database (MP-ID: mp-1018692, 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_ErTe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.42521700
_cell_length_b 4.42521700
_cell_length_c 8.84654300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ErTe2
_chemical_formula_sum 'Er2 Te4'
_cell_volume 173.23783079
_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 0.00000000 0.50000000 0.72903900 1.0
Er Er1 1 0.50000000 0.00000000 0.27096100 1.0
Te Te2 1 0.00000000 0.50000000 0.37271500 1.0
Te Te3 1 0.50000000 0.00000000 0.62728500 1.0
Te Te4 1 0.00000000 0.00000000 0.00000000 1.0
Te Te5 1 0.50000000 0.50000000 0.00000000 1.0
