Basic Information
Formula
Gd2InGe2
MP-ID
mp-639160
Elements
3
Sites
10
Density
8.1363
g/cm³
Volume
234.54
ų
Cell a
7.4455
Å
Cell b
7.4455
Å
Cell c
4.2309
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
P4/mbm
Point Group
4/mmm
Crystal System
Tetragonal
Bravais Lattice
tP
Stability
Yes
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 |
|---|---|---|---|
| 21.00 | 4.2309 | 1.1 | (0,0,1) |
| 23.90 | 3.7228 | 4.5 | (2,0,0) |
| 26.77 | 3.3298 | 9.8 | (2,1,0) |
| 26.77 | 3.3297 | 9.8 | (2,-1,0) |
| 27.04 | 3.2979 | 6.4 | (1,1,1) |
| 27.04 | 3.2979 | 6.4 | (1,-1,1) |
| 32.02 | 2.7949 | 100.0 | (2,0,1) |
| 34.06 | 2.6324 | 11.8 | (2,2,0) |
| 34.06 | 2.6324 | 11.8 | (2,-2,0) |
| 34.27 | 2.6166 | 81.2 | (2,1,1) |
| 34.27 | 2.6166 | 81.2 | (2,-1,1) |
| 38.23 | 2.3545 | 29.3 | (3,1,0) |
| 38.23 | 2.3545 | 29.3 | (3,-1,0) |
| 42.74 | 2.1154 | 35.9 | (0,0,2) |
| 43.84 | 2.0650 | 6.1 | (3,2,0) |
| 43.84 | 2.0650 | 6.1 | (3,-2,0) |
| 44.01 | 2.0574 | 1.2 | (3,1,1) |
| 44.01 | 2.0574 | 1.2 | (3,-1,1) |
| 48.93 | 1.8614 | 1.3 | (4,0,0) |
| 49.09 | 1.8558 | 1.0 | (3,2,1) |
| 49.09 | 1.8558 | 1.0 | (3,-2,1) |
| 49.56 | 1.8392 | 1.4 | (2,0,2) |
| 50.54 | 1.8058 | 11.1 | (4,1,0) |
| 50.54 | 1.8058 | 11.1 | (4,-1,0) |
Energy Properties
Formation Energy/atom
-0.72133
eV/atom
Energy/atom
-8.75283
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-28.1976
eV/atom
Volume/atom
23.45
ų
c/a Ratio
0.5682
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
28.9173
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.123290
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Gd · 0.400
Element Family
N/A
Solute Fraction
0.600
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
B
Score
0.468
Family
Gd-rich Multi-Component
Matrix Element
Gd · 0.400
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-639160
Reference Citation
The crystal structure and related material properties of Gd2InGe2 were obtained from the Materials Project database (MP-ID: mp-639160, 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_Gd2InGe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.44550500
_cell_length_b 7.44550500
_cell_length_c 4.23086816
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 89.99904670
_symmetry_Int_Tables_number 1
_chemical_formula_structural Gd2InGe2
_chemical_formula_sum 'Gd4 In2 Ge4'
_cell_volume 234.54048101
_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
Gd Gd0 1 0.17940050 0.32059950 0.50000000 1.0
Gd Gd1 1 0.67941031 0.17941031 0.50000000 1.0
Gd Gd2 1 0.82059950 0.67940050 0.50000000 1.0
Gd Gd3 1 0.32058969 0.82058969 0.50000000 1.0
In In4 1 0.50000000 0.50000000 -0.00000000 1.0
In In5 1 0.00000000 -0.00000000 -0.00000000 1.0
Ge Ge6 1 0.11918289 0.61918289 -0.00000000 1.0
Ge Ge7 1 0.38081831 0.11918169 -0.00000000 1.0
Ge Ge8 1 0.61918169 0.88081831 -0.00000000 1.0
Ge Ge9 1 0.88081711 0.38081711 0.00000000 1.0
