GdTe
Traditional Materials TRAMP-ID: mp-1184509 · Space group: P-6m2 (#187)
Basic Information
Formula
GdTe
MP-ID
mp-1184509
Elements
2
Sites
2
Density
7.7562
g/cm³
Volume
60.98
ų
Cell a
4.1416
Å
Cell b
4.1416
Å
Cell c
4.1052
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
119.99
°
Space Group
P-6m2
Point Group
-6m2
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 |
|---|---|---|---|
| 21.65 | 4.1052 | 1.1 | (0,0,0,1) |
| 24.82 | 3.5869 | 36.3 | (1,0,-1,0) |
| 24.82 | 3.5866 | 18.1 | (1,-1,0,0) |
| 33.17 | 2.7011 | 100.0 | (1,0,-1,1) |
| 33.17 | 2.7010 | 50.0 | (1,-1,0,1) |
| 43.71 | 2.0709 | 15.4 | (1,1,-2,0) |
| 43.71 | 2.0708 | 30.9 | (2,-1,-1,0) |
| 44.12 | 2.0526 | 15.0 | (0,0,0,2) |
| 50.92 | 1.7934 | 5.1 | (2,0,-2,0) |
| 50.92 | 1.7933 | 2.6 | (2,-2,0,0) |
| 51.28 | 1.7815 | 10.1 | (1,0,-1,2) |
| 51.28 | 1.7815 | 5.0 | (1,-1,0,2) |
| 55.95 | 1.6435 | 22.4 | (2,0,-2,1) |
| 55.95 | 1.6433 | 11.2 | (2,-2,0,1) |
| 63.85 | 1.4579 | 10.0 | (1,1,-2,2) |
| 63.85 | 1.4578 | 19.9 | (2,-1,-1,2) |
| 69.31 | 1.3557 | 2.0 | (2,1,-3,0) |
| 69.31 | 1.3557 | 2.0 | (3,-1,-2,0) |
| 69.32 | 1.3556 | 2.0 | (3,-2,-1,0) |
| 69.61 | 1.3506 | 4.0 | (2,0,-2,2) |
| 69.62 | 1.3505 | 2.0 | (2,-2,0,2) |
| 73.57 | 1.2874 | 9.9 | (2,1,-3,1) |
| 73.58 | 1.2873 | 9.9 | (3,-1,-2,1) |
| 73.58 | 1.2873 | 9.9 | (3,-2,-1,1) |
Energy Properties
Formation Energy/atom
-1.60162
eV/atom
Energy/atom
-36.00874
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-36.0087
eV/atom
Volume/atom
30.49
ų
c/a Ratio
0.9912
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
7.9591
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.130510
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Gd · 0.500
Element Family
N/A
Solute Fraction
0.500
Interstitial Fraction
0.000
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.544
Family
Binary Alloy
Matrix Element
Gd · 0.500
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1184509
Reference Citation
The crystal structure and related material properties of GdTe were obtained from the Materials Project database (MP-ID: mp-1184509, 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_GdTe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.14154814
_cell_length_b 4.14154814
_cell_length_c 4.10524389
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99476436
_symmetry_Int_Tables_number 1
_chemical_formula_structural GdTe
_chemical_formula_sum 'Gd1 Te1'
_cell_volume 60.98428437
_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
Gd Gd0 1 0.00002331 0.99997669 0.50000000 1.0
Te Te1 1 0.66664369 0.33335631 0.00000000 1.0
