Lu2Zn17

Traditional Materials TRA

MP-ID: mp-30715 · Space group: R-3m (#166)

Materials Project API

Basic Information

Formula

Lu2Zn17

MP-ID

mp-30715

Elements

Sites

Density

8.4081

g/cm³

Volume

288.71

Å³

Cell a

6.6581

Cell b

6.6581

Cell c

6.6581

α Angle

82.80

β Angle

82.80

γ Angle

82.80

Space Group

R-3m

Point Group

-3m

Crystal System

Trigonal

Bravais Lattice

Stability

Yes

Packing Fraction

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
18.01	4.9242	1.4	(1,0,1)
18.01	4.9242	2.7	(1,1,0)
20.17	4.4030	2.9	(1,0,-1)
20.66	4.2990	1.8	(1,1,1)
24.34	3.6567	5.6	(1,1,-1)
27.17	3.2823	4.1	(2,0,0)
27.17	3.2823	2.0	(0,2,0)
29.03	3.0760	7.7	(2,0,1)
29.03	3.0760	38.5	(2,1,0)
30.09	2.9698	8.8	(2,1,1)
31.81	2.8131	1.1	(2,0,-1)
31.81	2.8131	2.1	(2,-1,0)
34.07	2.6315	16.7	(2,1,-1)
35.31	2.5421	61.9	(2,-1,-1)
36.49	2.4621	11.9	(2,0,2)
36.49	2.4621	23.8	(2,2,0)
36.78	2.4435	1.7	(2,1,2)
36.78	2.4435	3.5	(2,2,1)
41.00	2.2015	87.7	(2,0,-2)
41.26	2.1882	100.0	(3,0,0)
41.26	2.1882	50.0	(1,-2,-2)
42.03	2.1495	47.2	(2,2,2)
42.05	2.1489	10.2	(3,1,0)
42.05	2.1489	10.2	(1,3,0)

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Energy Properties

Formation Energy/atom

-0.23540

eV/atom

Energy/atom

-12.21645

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-12.2165

eV/atom

Volume/atom

15.20

Å³

c/a Ratio

1.0000

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

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Zn · 0.895

Element Family

N/A

Solute Fraction

0.105

Interstitial Fraction

0.000

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.775

Family

Zn-based Alloy

Matrix Element

Zn · 0.895

Related Tasks

Related computation task IDs (5)

aaadnofh aaadrkqr aaaelabl aaaetnze aaafwzqb

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-30715

Reference Citation

The crystal structure and related material properties of Lu2Zn17 were obtained from the Materials Project database (MP-ID: mp-30715, 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_Lu2Zn17
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.65813508
_cell_length_b   6.65813330
_cell_length_c   6.65813470
_cell_angle_alpha   82.79845616
_cell_angle_beta   82.79844911
_cell_angle_gamma   82.79845087
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Lu2Zn17
_chemical_formula_sum   'Lu2 Zn17'
_cell_volume   288.71346680
_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
  Lu  Lu0  1  0.66484778  0.66484778  0.66484778  1.0
  Lu  Lu1  1  0.33515222  0.33515222  0.33515222  1.0
  Zn  Zn2  1  0.35233858  0.35233858  0.83832830  1.0
  Zn  Zn3  1  0.35233858  0.83832830  0.35233858  1.0
  Zn  Zn4  1  0.10074766  0.10074766  0.10074766  1.0
  Zn  Zn5  1  0.89925234  0.89925234  0.89925234  1.0
  Zn  Zn6  1  0.00000000  -0.00000000  0.50000000  1.0
  Zn  Zn7  1  0.50000000  -0.00000000  -0.00000000  1.0
  Zn  Zn8  1  0.00000000  0.50000000  -0.00000000  1.0
  Zn  Zn9  1  0.70142755  0.29857245  0.00000000  1.0
  Zn  Zn10  1  0.00000000  0.70142755  0.29857245  1.0
  Zn  Zn11  1  0.29857245  1.00000000  0.70142755  1.0
  Zn  Zn12  1  0.29857245  0.70142755  1.00000000  1.0
  Zn  Zn13  1  -0.00000000  0.29857245  0.70142755  1.0
  Zn  Zn14  1  0.70142755  0.00000000  0.29857245  1.0
  Zn  Zn15  1  0.64766142  0.16167170  0.64766142  1.0
  Zn  Zn16  1  0.64766142  0.64766142  0.16167170  1.0
  Zn  Zn17  1  0.16167170  0.64766142  0.64766142  1.0
  Zn  Zn18  1  0.83832830  0.35233858  0.35233858  1.0

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