Lu5Ge3

传统材料 TRA

MP-ID: mp-1105989 · Space group: P6_3/mcm (#193)

Materials Project API

Basic Information

Formula

Lu5Ge3

MP-ID

mp-1105989

Elements

Sites

Density

9.9642

g/cm³

Volume

364.22

Å³

Cell a

6.2039

Cell b

8.2334

Cell c

8.2334

α Angle

120.00

β Angle

90.00

γ Angle

90.00

Space Group

P6_3/mcm

Point Group

6/mmm

Crystal System

Hexagonal

Bravais Lattice

Stability

Yes

Packing Fraction

0.7405

X-ray Diffraction

Diffraction Pattern

Target / Radiation

X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å

Diffraction Peaks (Top 24)

2θ	d (Å)	I	hkl
12.41	7.1304	1.1	(0,1,-1,0)
12.41	7.1304	1.1	(0,0,0,1)
12.41	7.1304	1.1	(0,1,-1,-1)
21.59	4.1167	4.3	(0,1,-1,1)
21.59	4.1167	4.3	(0,2,-2,-1)
21.59	4.1167	4.3	(0,1,-1,-2)
24.98	3.5652	19.6	(0,2,-2,0)
24.98	3.5652	19.6	(0,0,0,2)
24.98	3.5652	19.6	(0,2,-2,-2)
25.98	3.4302	16.5	(1,-1,0,-1)
25.98	3.4302	16.5	(1,-2,1,1)
25.98	3.4302	16.5	(1,1,-2,-2)
28.78	3.1020	41.0	(2,0,-2,0)
31.45	2.8445	42.1	(2,-1,-1,0)
31.45	2.8445	42.1	(2,0,-2,1)
31.45	2.8445	42.1	(2,-1,-1,1)
33.24	2.6950	24.6	(0,2,-2,1)
33.24	2.6950	24.6	(0,1,-1,2)
33.24	2.6950	24.6	(0,3,-3,-1)
33.24	2.6950	24.6	(0,1,-1,-3)
33.24	2.6950	24.6	(0,3,-3,-2)
33.24	2.6950	24.6	(0,2,-2,-3)
36.26	2.4774	50.0	(2,-1,-1,-1)
36.26	2.4774	50.0	(2,1,-3,1)

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Energy Properties

Formation Energy/atom

-0.79430

eV/atom

Energy/atom

-5.35399

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-29.9083

eV/atom

Volume/atom

22.76

Å³

c/a Ratio

1.3271

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.0000

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Lu · 0.625

Element Family

N/A

Solute Fraction

0.375

Interstitial Fraction

0.000

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.679

Family

Binary Alloy

Matrix Element

Lu · 0.625

Related Tasks

Related computation task IDs (5)

aaadnhzo aaadtbbo aaaeikgy aaaeufjd aaafsozj

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1105989

Reference Citation

The crystal structure and related material properties of Lu5Ge3 were obtained from the Materials Project database (MP-ID: mp-1105989, 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…

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Raw CIF Data

# generated using pymatgen
data_Lu5Ge3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.20392897
_cell_length_b   8.23344428
_cell_length_c   8.23343778
_cell_angle_alpha   119.99972887
_cell_angle_beta   90.00000163
_cell_angle_gamma   90.00000548
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Lu5Ge3
_chemical_formula_sum   'Lu10 Ge6'
_cell_volume   364.21799015
_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  0.49999934  0.33333121  0.66666768  1.0
  Lu  Lu1  1  0.49999994  0.66666179  0.33333018  1.0
  Lu  Lu2  1  0.99999841  0.66666651  0.33333189  1.0
  Lu  Lu3  1  0.99999948  0.33333714  0.66666791  1.0
  Lu  Lu4  1  0.75000120  0.24109215  0.00001275  1.0
  Lu  Lu5  1  0.74999368  0.75893052  0.75891628  1.0
  Lu  Lu6  1  0.75000560  -0.00001535  0.24107465  1.0
  Lu  Lu7  1  0.24999940  0.75892569  0.00001653  1.0
  Lu  Lu8  1  0.24999879  0.24109664  0.24107627  1.0
  Lu  Lu9  1  0.25000279  -0.00001918  0.75890452  1.0
  Ge  Ge10  1  0.74999430  0.60629309  0.00005787  1.0
  Ge  Ge11  1  0.74999990  0.39376692  0.39370562  1.0
  Ge  Ge12  1  0.75000022  -0.00006108  0.60623816  1.0
  Ge  Ge13  1  0.24999568  0.39376296  0.00005590  1.0
  Ge  Ge14  1  0.25000411  0.60629608  0.60623847  1.0
  Ge  Ge15  1  0.25000217  -0.00006208  0.39370430  1.0

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