LuGe2
Traditional Materials TRAMP-ID: mp-973906 · Space group: Cmcm (#63)
Basic Information
Formula
LuGe2
MP-ID
mp-973906
Elements
2
Sites
6
Density
8.8583
g/cm³
Volume
120.06
ų
Cell a
8.2082
Å
Cell b
8.2082
Å
Cell c
3.8384
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
27.66
°
Space Group
Cmcm
Point Group
mmm
Crystal System
Orthorhombic
Bravais Lattice
oC
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 |
|---|---|---|---|
| 11.10 | 7.9702 | 3.4 | (1,1,0) |
| 22.31 | 3.9851 | 3.2 | (2,2,0) |
| 23.34 | 3.8108 | 7.0 | (1,0,0) |
| 25.76 | 3.4583 | 23.5 | (1,1,1) |
| 28.27 | 3.1568 | 13.1 | (2,1,0) |
| 33.13 | 2.7044 | 4.6 | (1,0,1) |
| 33.74 | 2.6567 | 17.0 | (3,3,0) |
| 36.30 | 2.4745 | 19.3 | (3,2,0) |
| 36.87 | 2.4382 | 100.0 | (2,1,1) |
| 41.33 | 2.1845 | 14.3 | (3,3,1) |
| 45.52 | 1.9925 | 1.8 | (4,4,0) |
| 46.27 | 1.9623 | 15.8 | (1,-1,0) |
| 47.37 | 1.9192 | 14.8 | (0,0,2) |
| 51.69 | 1.7685 | 9.0 | (4,4,1) |
| 53.46 | 1.7141 | 1.6 | (1,0,2) |
| 53.71 | 1.7067 | 6.5 | (2,0,1) |
| 56.08 | 1.6399 | 3.9 | (2,1,2) |
| 57.05 | 1.6144 | 7.6 | (5,4,0) |
| 58.47 | 1.5784 | 7.0 | (4,2,0) |
| 59.41 | 1.5557 | 6.6 | (3,3,2) |
| 61.11 | 1.5165 | 8.6 | (3,2,2) |
| 62.40 | 1.4881 | 2.8 | (5,4,1) |
| 63.75 | 1.4598 | 7.9 | (4,2,1) |
| 66.93 | 1.3981 | 1.2 | (5,3,0) |
Energy Properties
Formation Energy/atom
-0.57709
eV/atom
Energy/atom
-5.16634
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-22.5499
eV/atom
Volume/atom
20.01
ų
c/a Ratio
0.4676
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
0.0000
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Ge · 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
Ge · 0.667
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-973906
Reference Citation
The crystal structure and related material properties of LuGe2 were obtained from the Materials Project database (MP-ID: mp-973906, 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_LuGe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.20816870
_cell_length_b 8.20816870
_cell_length_c 3.83840487
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 27.66284731
_symmetry_Int_Tables_number 1
_chemical_formula_structural LuGe2
_chemical_formula_sum 'Lu2 Ge4'
_cell_volume 120.06375388
_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
Lu Lu0 1 0.10563046 0.10563046 0.24999900 1.0
Lu Lu1 1 0.89436954 0.89436954 0.74999800 1.0
Ge Ge2 1 0.74487409 0.74487409 0.24999900 1.0
Ge Ge3 1 0.25512691 0.25512691 0.74999800 1.0
Ge Ge4 1 0.44881893 0.44881893 0.24999900 1.0
Ge Ge5 1 0.55118107 0.55118107 0.74999800 1.0
