La2Zn17

Traditional Materials TRA

MP-ID: mp-30709 · Space group: R-3m (#166)

Materials Project API

Basic Information

Formula

La2Zn17

MP-ID

mp-30709

Elements

Sites

Density

7.4500

g/cm³

Volume

309.77

Å³

Cell a

6.8135

Cell b

6.8135

Cell c

6.8135

α Angle

83.00

β Angle

83.00

γ Angle

83.00

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
13.17	6.7227	1.7	(1,0,0)
23.74	3.7480	4.7	(1,1,-1)
26.52	3.3614	5.1	(2,0,0)
28.37	3.1463	31.2	(2,1,0)
29.45	3.0327	5.9	(2,1,1)
31.01	2.8838	3.0	(2,0,-1)
33.23	2.6962	5.1	(2,1,-1)
33.23	2.6962	5.1	(2,-1,1)
34.41	2.6066	44.2	(2,-1,-1)
35.66	2.5175	10.6	(2,2,0)
35.66	2.5175	21.3	(2,0,2)
36.00	2.4947	2.4	(2,2,1)
39.94	2.2574	79.4	(2,0,-2)
40.24	2.2409	100.0	(2,2,-1)
40.24	2.2409	20.3	(1,-2,-2)
41.05	2.1988	9.2	(3,1,0)
41.05	2.1988	9.2	(3,0,1)
41.15	2.1935	43.1	(2,2,2)
41.35	2.1835	23.4	(3,1,1)
42.23	2.1400	1.7	(2,1,-2)
45.17	2.0073	45.8	(3,1,-1)
46.00	1.9730	8.0	(3,2,1)
46.18	1.9657	4.1	(3,2,0)
46.18	1.9657	4.1	(3,0,2)

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Energy Properties

Formation Energy/atom

-0.29151

eV/atom

Energy/atom

-11.39518

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-11.3952

eV/atom

Volume/atom

16.30

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

0.855

Family

Zn-based Alloy

Matrix Element

Zn · 0.895

Related Tasks

Related computation task IDs (5)

aaadnnpe aaadrlbm aaaemrtf aaaerwpz aaafcfqr

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-30709

Reference Citation

The crystal structure and related material properties of La2Zn17 were obtained from the Materials Project database (MP-ID: mp-30709, 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_La2Zn17
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.81349394
_cell_length_b   6.81349378
_cell_length_c   6.81349398
_cell_angle_alpha   83.00066900
_cell_angle_beta   83.00066422
_cell_angle_gamma   83.00065840
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2Zn17
_chemical_formula_sum   'La2 Zn17'
_cell_volume   309.76689091
_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
  La  La0  1  0.66263574  0.66263574  0.66263574  1.0
  La  La1  1  0.33736426  0.33736426  0.33736426  1.0
  Zn  Zn2  1  0.34713408  0.34713408  0.84079659  1.0
  Zn  Zn3  1  0.34713408  0.84079659  0.34713408  1.0
  Zn  Zn4  1  0.09826524  0.09826524  0.09826524  1.0
  Zn  Zn5  1  0.90173476  0.90173476  0.90173476  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  0.71082442  0.28917558  0.00000000  1.0
  Zn  Zn10  1  0.00000000  0.71082442  0.28917558  1.0
  Zn  Zn11  1  0.28917558  -0.00000000  0.71082442  1.0
  Zn  Zn12  1  0.28917558  0.71082442  -0.00000000  1.0
  Zn  Zn13  1  -0.00000000  0.28917558  0.71082442  1.0
  Zn  Zn14  1  0.71082442  0.00000000  0.28917558  1.0
  Zn  Zn15  1  0.65286592  0.15920341  0.65286592  1.0
  Zn  Zn16  1  0.65286592  0.65286592  0.15920341  1.0
  Zn  Zn17  1  0.15920341  0.65286592  0.65286592  1.0
  Zn  Zn18  1  0.84079659  0.34713408  0.34713408  1.0

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