La2Mg17

Traditional Materials TRA

MP-ID: mp-30752 · Space group: P6_3/mmc (#194)

Materials Project API

Basic Information

Formula

La2Mg17

MP-ID

mp-30752

Elements

Sites

Density

2.4546

g/cm³

Volume

934.91

Å³

Cell a

10.3118

Cell b

10.3118

Cell c

10.1525

α Angle

90.00

β Angle

90.00

γ Angle

120.00

Space Group

P6_3/mmc

Point Group

6/mmm

Crystal System

Hexagonal

Bravais Lattice

Stability

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
9.90	8.9303	6.0	(1,0,-1,0)
13.20	6.7054	28.1	(1,0,-1,1)
17.20	5.1559	38.2	(2,-1,-1,0)
17.47	5.0763	14.2	(0,0,0,2)
19.88	4.4651	1.8	(2,0,-2,0)
20.12	4.4131	7.6	(1,0,-1,2)
21.74	4.0873	16.5	(2,0,-2,1)
24.61	3.6173	76.2	(2,-1,-1,2)
26.41	3.3753	1.1	(3,-1,-2,0)
26.59	3.3527	6.5	(2,0,-2,2)
27.85	3.2030	20.6	(3,-1,-2,1)
28.20	3.1646	12.6	(1,0,-1,3)
30.02	2.9768	49.9	(3,0,-3,0)
31.84	2.8107	10.4	(3,-1,-2,2)
33.22	2.6971	31.1	(2,0,-2,3)
34.80	2.5779	54.9	(4,-2,-2,0)
34.94	2.5678	100.0	(3,0,-3,2)
35.36	2.5381	26.0	(0,0,0,4)
36.81	2.4414	2.7	(1,0,-1,4)
37.37	2.4062	2.6	(4,-1,-3,1)
37.64	2.3898	17.5	(3,-1,-2,3)
39.58	2.2772	2.5	(2,-1,-1,4)
40.53	2.2260	1.9	(4,-1,-3,2)
40.90	2.2066	3.7	(2,0,-2,4)

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Energy Properties

Formation Energy/atom

-0.03431

eV/atom

Energy/atom

-2.01273

eV/atom

Energy above Hull

0.0120

eV/atom

Uncorrected Energy

-6.9447

eV/atom

Volume/atom

24.60

Å³

c/a Ratio

0.9846

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.0001

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

Mg · 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

0.847

Family

Mg-based Alloy

Matrix Element

Mg · 0.895

Related Tasks

Related computation task IDs (2)

aaacbpli aaaelwhp

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-30752

Reference Citation

The crystal structure and related material properties of La2Mg17 were obtained from the Materials Project database (MP-ID: mp-30752, 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_La2Mg17
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.31176899
_cell_length_b   10.31176899
_cell_length_c   10.15250546
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999675
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2Mg17
_chemical_formula_sum   'La4 Mg34'
_cell_volume   934.91091066
_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
  La  La0  1  0.66666700  0.33333300  0.25000000  1.0
  La  La1  1  0.33333300  0.66666700  0.75000000  1.0
  La  La2  1  -0.00000000  -0.00000000  0.75000000  1.0
  La  La3  1  -0.00000000  -0.00000000  0.25000000  1.0
  Mg  Mg4  1  0.16252747  0.83747253  0.52162895  1.0
  Mg  Mg5  1  0.16252747  0.32505494  0.52162895  1.0
  Mg  Mg6  1  0.67494506  0.83747253  0.52162895  1.0
  Mg  Mg7  1  0.32505494  0.16252747  0.02162895  1.0
  Mg  Mg8  1  0.33333300  0.66666700  0.10174425  1.0
  Mg  Mg9  1  0.66666700  0.33333300  0.60174425  1.0
  Mg  Mg10  1  0.66666700  0.33333300  0.89825575  1.0
  Mg  Mg11  1  0.33333300  0.66666700  0.39825575  1.0
  Mg  Mg12  1  0.50000000  -0.00000000  -0.00000000  1.0
  Mg  Mg13  1  0.50000000  0.50000000  0.50000000  1.0
  Mg  Mg14  1  -0.00000000  0.50000000  0.50000000  1.0
  Mg  Mg15  1  -0.00000000  0.50000000  -0.00000000  1.0
  Mg  Mg16  1  0.50000000  0.50000000  -0.00000000  1.0
  Mg  Mg17  1  0.50000000  -0.00000000  0.50000000  1.0
  Mg  Mg18  1  0.32829690  0.96408878  0.25000000  1.0
  Mg  Mg19  1  0.36420812  0.32829690  0.75000000  1.0
  Mg  Mg20  1  0.96408878  0.63579188  0.75000000  1.0
  Mg  Mg21  1  0.03591122  0.36420812  0.25000000  1.0
  Mg  Mg22  1  0.63579188  0.67170310  0.25000000  1.0
  Mg  Mg23  1  0.36420812  0.03591122  0.75000000  1.0
  Mg  Mg24  1  0.67170310  0.63579188  0.75000000  1.0
  Mg  Mg25  1  0.67170310  0.03591122  0.75000000  1.0
  Mg  Mg26  1  0.96408878  0.32829690  0.75000000  1.0
  Mg  Mg27  1  0.03591122  0.67170310  0.25000000  1.0
  Mg  Mg28  1  0.63579188  0.96408878  0.25000000  1.0
  Mg  Mg29  1  0.32829690  0.36420812  0.25000000  1.0
  Mg  Mg30  1  0.16252747  0.32505494  0.97837105  1.0
  Mg  Mg31  1  0.83747253  0.16252747  0.47837105  1.0
  Mg  Mg32  1  0.32505494  0.16252747  0.47837105  1.0
  Mg  Mg33  1  0.67494506  0.83747253  0.97837105  1.0
  Mg  Mg34  1  0.16252747  0.83747253  0.97837105  1.0
  Mg  Mg35  1  0.83747253  0.67494506  0.02162895  1.0
  Mg  Mg36  1  0.83747253  0.16252747  0.02162895  1.0
  Mg  Mg37  1  0.83747253  0.67494506  0.47837105  1.0

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