EuTl2
Traditional Materials TRAMP-ID: mp-30630 · Space group: P6_3/mmc (#194)
Basic Information
Formula
EuTl2
MP-ID
mp-30630
Elements
2
Sites
6
Density
10.3083
g/cm³
Volume
180.65
ų
Cell a
5.0935
Å
Cell b
5.0935
Å
Cell c
8.0406
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
Yes
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 |
|---|---|---|---|
| 20.13 | 4.4111 | 1.4 | (0,1,-1,0) |
| 20.13 | 4.4111 | 2.8 | (1,0,-1,0) |
| 22.11 | 4.0203 | 16.5 | (0,0,0,2) |
| 23.00 | 3.8673 | 9.8 | (0,1,-1,1) |
| 23.00 | 3.8673 | 19.6 | (1,0,-1,1) |
| 30.08 | 2.9713 | 100.0 | (1,-1,0,2) |
| 30.08 | 2.9713 | 50.0 | (1,0,-1,2) |
| 35.24 | 2.5467 | 49.7 | (1,-2,1,0) |
| 35.24 | 2.5467 | 99.3 | (2,-1,-1,0) |
| 39.34 | 2.2905 | 52.6 | (1,0,-1,3) |
| 42.00 | 2.1514 | 6.4 | (1,-2,1,2) |
| 42.00 | 2.1514 | 6.4 | (1,1,-2,2) |
| 42.00 | 2.1514 | 6.4 | (2,-1,-1,2) |
| 42.50 | 2.1270 | 2.0 | (0,2,-2,1) |
| 42.50 | 2.1270 | 2.0 | (2,-2,0,1) |
| 42.50 | 2.1270 | 2.0 | (2,0,-2,1) |
| 45.10 | 2.0101 | 7.5 | (0,0,0,4) |
| 46.99 | 1.9337 | 14.8 | (0,2,-2,2) |
| 46.99 | 1.9337 | 14.8 | (2,-2,0,2) |
| 46.99 | 1.9337 | 14.8 | (2,0,-2,2) |
| 49.85 | 1.8292 | 1.5 | (1,0,-1,4) |
| 53.83 | 1.7031 | 7.2 | (0,2,-2,3) |
| 53.83 | 1.7031 | 7.2 | (2,-2,0,3) |
| 53.83 | 1.7030 | 7.2 | (2,0,-2,3) |
Energy Properties
Formation Energy/atom
-0.44064
eV/atom
Energy/atom
-48.73380
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-48.7338
eV/atom
Volume/atom
30.11
ų
c/a Ratio
1.5786
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
14.1215
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.078170
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Tl · 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
0.623
Family
Binary Alloy
Matrix Element
Tl · 0.667
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-30630
Reference Citation
The crystal structure and related material properties of EuTl2 were obtained from the Materials Project database (MP-ID: mp-30630, 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_EuTl2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.09348316
_cell_length_b 5.09348597
_cell_length_c 8.04054981
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000186
_symmetry_Int_Tables_number 1
_chemical_formula_structural EuTl2
_chemical_formula_sum 'Eu2 Tl4'
_cell_volume 180.65349124
_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
Eu Eu0 1 -0.00000000 -0.00000000 0.24999900 1.0
Eu Eu1 1 -0.00000000 -0.00000000 0.75000100 1.0
Tl Tl2 1 0.33333300 0.66666700 0.45265901 1.0
Tl Tl3 1 0.66666700 0.33333300 0.95265901 1.0
Tl Tl4 1 0.66666700 0.33333300 0.54734099 1.0
Tl Tl5 1 0.33333300 0.66666700 0.04734099 1.0
